SCHEMBL1742452

SCHEMBL1742452

CCOC(=O)N1CCC(c2ccc(Sc3ccccc3C)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.50
FFAR1 O14842 1/20 0.47
CCR6 P51684 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 5/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
HPGD P15428 1/20 0.44
NOS2 P35228 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1741754 0.81 L3MBTL1 (0.49) BRD4L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL21159622 0.76 BRD4 (0.61) BRD4L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11437380 0.76 MEN1 (0.50) BRD4L3MBTL1ALDH1A1TSHRMEN1
Trifluoroacetic Acid SCHEMBL3267697 0.76 BRD4 (0.44) BRD4L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL3411031 0.75 APP (0.43) BRD4FFAR1L3MBTL1ALDH1A1TSHR
SCHEMBL4133614 0.74 ALDH1A1 (0.49) BRD4L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL8314901 0.73 SMN1; SMN2 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23250797 0.73 L3MBTL1 (0.49) BRD4L3MBTL1ALDH1A1TSHRMEN1
SCHEMBL2514445 0.73 HRH2 (0.53)
SCHEMBL8986471 0.72 MAPT (0.58) ALDH1A1KMT2AGAAMAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170087138-A1 Therapeutic Uses Of Compounds Having Affinity To The Serotonin Transporter, Serotonin Receptors And Noradrenalin Transporter H LUNDBECK AS (DK) 2017-03-30 US disclosed
US-20170037006-A1 CRYSTALLINE FORMS OF 4-[2-(4-METHYLPHENYLSULFANYL)-PHENYL] PIPERIDINE H LUNDBECK AS (DK) 2017-02-09 US disclosed
US-9315459-B2 Crystalline forms of 4-[2-(4-methylphenylsulfanyl)-phenyl] piperidine H. LUNDBECK A/S (DK) 2016-04-19 US disclosed
US-20150073018-A1 CRYSTALLINE FORMS OF 4-[2-(4-METHYLPHENYLSULFANYL)-PHENYL] PIPERIDINE LUNDBECK & CO AS H (DK) 2015-03-12 US disclosed
US-20140296290-A1 THERAPEUTIC USES OF COMPOUNDS HAVING AFFINITY TO THE SEROTONIN TRANSPORTER, SEROTONIN RECEPTORS AND NORADRENALIN TRANSPORTER LUNDBECK & CO AS H (DK) 2014-10-02 US disclosed
EP-2167085-B1 4- [2- (4-METHYLPHENYLSULFANYL) PHENYL]PIPERIDINE FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME (IBS) LUNDBECK & CO AS H (DK) 2013-12-25 EP disclosed
US-8507526-B2 4- [2- (4-methylphenylsulfanyl) phenyl] piperidine for the treatment of irritable bowel syndrome (IBS) H. LUNDBECK A/S (DM) 2013-08-13 US disclosed
US-20130190352-A1 CRYSTALLINE FORMS OF 4-[2-(4-METHYLPHENYLSULFANYL)-PHENYL] PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF NEUROPATHIC PAIN H. LUNDBECK A/S (DK) 2013-07-25 US disclosed
EP-2139479-B1 4-[2-(4-METHYLPHENYLSULFANYL)PHENYL]PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF ADHD, MELANCHOLIA, TREATMENT RESISTENT DEPRESSION OR RESIDUAL SYMPTOMS IN DEPRESSION LUNDBECK & CO AS H (DK) 2012-12-12 EP disclosed
US-8299095-B2 Crystalline forms of 4-[2-(4-methylphenylsulfanyl)-phenyl] piperidine with combined serotonin and norepinephrine reuptake inhibition and uses thereof H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
EP-2167085-A1 4- [2- (4-METHYLPHENYLSULFANYL) PHENYL]PIPERIDINE FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME (IBS) H. Lundbeck A/S (DK) 2010-03-31 EP disclosed
EP-2139479-A2 4-[2-(4-METHYLPHENYLSULFANYL)PHENYL]PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF ADHD, MELANCHOLIA, TREATMENT RESISTENT DEPRESSION OR RESIDUAL SYMPTOMS IN DEPRESSION H. Lundbeck A/S (DK) 2010-01-06 EP disclosed
EP-2129377-A1 LIQUID FORMULATIONS OF SALTS OF 4-[2-(4-METHYLPHENYLSULFANYL)PHENYL]PIPERIDINE H.Lundbeck A/S (DK) 2009-12-09 EP disclosed
US-20090264465-A1 CRYSTALLINE FORMS OF 4- [2- (4-METHYLPHENYLSULFANYL) -PHENYL] PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF NEUROPATHIC PAIN H. LUNDBECK A/S (DK) 2009-10-22 US disclosed
WO-2009076962-A1 THERAPEUTIC USES OF COMPOUNDS HAVING AFFINITY TO THE SEROTONIN TRANSPORTER, SEROTONIN RECEPTORS AND NORADRENALIN TRANSPORTER H. LUNDBECK A/S (DK) 2009-06-25 WO disclosed
EP-2044020-A1 CRYSTALLINE FORMS OF 4- [2- (4-METHYLPHENYLSULFANYL) -PHENYL]PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF NEUROPATHIC PAIN H.Lundbeck A/S (DK) 2009-04-08 EP disclosed
WO-2008151632-A1 4- [2- (4-METHYLPHENYLSULFANYL) PHENYL] PIPERIDINE FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME (IBS) H.LUNDBECK A/S (DK) 2008-12-18 WO disclosed
WO-2008113358-A1 LIQUID FORMULATIONS OF SALTS OF 4-[2-(4-METHYLPHENYLSULFANYL)PHENYL]PIPERIDINE H. LUNDBECK A/S (DK) 2008-09-25 WO disclosed
WO-2008113360-A2 4- [2- (4-METHYLPHENYLSULFANYD-PHENYL] PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF ADHD, MELANCHOLIA, TREATMENT RESISTENT DEPRESSION OR RESIDUAL SYMPTOMS IN DEPRESSION H. LUNDBECK A/S (DK) 2008-09-25 WO disclosed
WO-2007144006-A1 CRYSTALLINE FORMS OF 4- [2- (4-METHYLPHENYLSULFANYL) -PHENYL] PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF NEUROPATHIC PAIN H. LUNDBECK A/S (DK) 2007-12-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264465-A1 CRYSTALLINE FORMS OF 4- [2- (4-METHYLPHENYLSULFANYL) -PHENYL] PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF NEUROPATHIC PAIN SLC6A4, SLC6A2, SLC18A1 BRD4 4541/4885FFAR1 1175/4885CCR6 3432/4885
US-20140296290-A1 THERAPEUTIC USES OF COMPOUNDS HAVING AFFINITY TO THE SEROTONIN TRANSPORTER, SEROTONIN RECEPTORS AND NORADRENALIN TRANSPORTER SLC6A2, SLC6A4, SLC18A2 BRD4 3139/4885FFAR1 1251/4885CCR6 2699/4885
US-20150073018-A1 CRYSTALLINE FORMS OF 4-[2-(4-METHYLPHENYLSULFANYL)-PHENYL] PIPERIDINE PMP22, SCN4A, SFPQ BRD4 2510/4885FFAR1 2172/4885CCR6 2380/4885
US-20170087138-A1 Therapeutic Uses Of Compounds Having Affinity To The Serotonin Transporter, Serotonin Receptors And Noradrenalin Transporter SLC6A2, SLC6A4, SLC18A2 BRD4 2847/4885FFAR1 1093/4885CCR6 2620/4885
US-20170037006-A1 CRYSTALLINE FORMS OF 4-[2-(4-METHYLPHENYLSULFANYL)-PHENYL] PIPERIDINE PMP22, SCN4A, SFPQ BRD4 2510/4885FFAR1 2172/4885CCR6 2380/4885
US-20130190352-A1 CRYSTALLINE FORMS OF 4-[2-(4-METHYLPHENYLSULFANYL)-PHENYL] PIPERIDINE WITH COMBINED SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITION FOR THE TREATMENT OF NEUROPATHIC PAIN SLC6A4, SLC6A2, SLC18A1 BRD4 4541/4885FFAR1 1175/4885CCR6 3432/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.