SCHEMBL4438408

SCHEMBL4438408

CN(CCC(O)c1cccs1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
TSHR P16473 1/20 0.44
SLC5A2 P31639 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CACNA2D1 P54289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.39
ADAM17 P78536 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4440875 1.00 NPC1 (0.47) NPC1RAB9AKMT2ACARM1PRMT6
SCHEMBL4448649 1.00 NPC1 (0.47) NPC1RAB9AKMT2ACARM1PRMT6
Oxalic Acid SCHEMBL4436798 0.95 TSHR (0.46) NPC1RAB9AKMT2ATSHRCACNA2D1
SCHEMBL27632851 0.87 NPC1 (0.49) NPC1RAB9AKMT2ASLC5A2SIGMAR1
SCHEMBL10979368 0.85 TSHR (0.52) NPC1RAB9AKMT2ACARM1PRMT6
SCHEMBL28754037 0.85 TSHR (0.52) NPC1RAB9AKMT2ACARM1PRMT6
SCHEMBL15247732 0.84 CARM1 (0.46) CARM1PRMT6PRMT8TSHRSIGMAR1
SCHEMBL15247733 0.84 CARM1 (0.46) CARM1PRMT6PRMT8TSHRSIGMAR1
SCHEMBL15247731 0.84 CARM1 (0.46) CARM1PRMT6PRMT8TSHRSIGMAR1
SCHEMBL15234415 0.82 TSHR (0.50) CARM1PRMT6PRMT8TSHRCACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125772-B1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT (HU) 2013-09-11 EP claimed
EP-2125772-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN Richter Gedeon NYRT (HU) 2009-12-02 EP claimed
WO-2008078124-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT. (HU) 2008-07-03 WO claimed
EP-1765766-B1 METHOD FOR PRODUCING ENANTIOMERS 3-HYDROXY-3-PHENYL-PROPYLAMINES BOEHRINGER INGELHEIM PHARMA (DE) 2013-09-25 EP disclosed
EP-2125772-B1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT (HU) 2013-09-11 EP disclosed
EP-2125772-B1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT (HU) 2013-09-11 EP disclosed
EP-2125772-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN Richter Gedeon NYRT (HU) 2009-12-02 EP disclosed
US-7550605-B2 Process for preparation of an anitdepressant compound SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2009-06-23 US disclosed
US-7550605-B2 Process for preparation of an anitdepressant compound SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2009-06-23 US disclosed
WO-2008078124-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT. (HU) 2008-07-03 WO disclosed
WO-2008078124-A1 A PROCESS FOR THE PREPARATION OF DULOXETIN AND NEW KEY INTERMEDIATES FOR USE THEREIN RICHTER GEDEON NYRT. (HU) 2008-07-03 WO disclosed
US-20060009533-A1 Process for manufacturing of enantiomerically pure 3-hydroxy-3-phenyl-propylamin BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-01-12 US disclosed
US-20050272930-A1 Process for the prepation of 3-hydroxy-(2-thienyl)propanamines HEMS WILLIAM 2005-12-08 US disclosed
WO-2005085192-A1 METHOD FOR PRODUCING N-ALKYL-N-METHYL-3-HYDROXY-3-(2-THIENYL)-PROPYLAMINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO disclosed
US-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-08 US disclosed
US-20050171360-A1 Preparation of n-methyl-3-hydroxy- 3-(2-thienyl)propylamine via novel thiophene derivatives containing carbamate groups as intermediates DEGUSSA AG (DE) 2005-08-04 US disclosed
EP-1506965-A1 PROPANOLAMINE DERIVATIVES, PROCESS FOR PREPARATION OF 3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOLS AND PROCESS FOR PREPARATION OF PROPANOLAMINE DERIVATIVES Mitsubishi Rayon Co., Ltd. (JP) 2005-02-16 EP disclosed
EP-1476439-A1 PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES Degussa AG (DE) 2004-11-17 EP disclosed
WO-2003070720-A1 PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES DEGUSSA AG (DE) 2003-08-28 WO disclosed
EP-0457559-A2 Chiral synthesis of 1-aryl-3-aminopropan-1-ols ELI LILLY AND COMPANY (US) 1991-11-21 EP 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 (4 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-20060009533-A1 Process for manufacturing of enantiomerically pure 3-hydroxy-3-phenyl-propylamin HPD, HNMT, PNMT NPC1 3366/4885RAB9A 3446/4885KMT2A 586/4885
US-20050272930-A1 Process for the prepation of 3-hydroxy-(2-thienyl)propanamines PNMT, HPD, HRH3 NPC1 4437/4885RAB9A 2150/4885KMT2A 1054/4885
US-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines HNMT, PNMT, HRH4 NPC1 3703/4885RAB9A 3317/4885KMT2A 148/4885
US-20050171360-A1 Preparation of n-methyl-3-hydroxy- 3-(2-thienyl)propylamine via novel thiophene derivatives containing carbamate groups as intermediates HTR3C, PNMT, HTR2C NPC1 3090/4885RAB9A 3873/4885KMT2A 233/4885

“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.