Sugi Predict

Sugi Predict / Compounds / SCHEMBL4896743

SCHEMBL4896743

SCHEMBL4896743

CCCCC(Cc1ccccc1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CYP2D6 P10635 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ IDO1 P14902 1/20 0.48
▸ MC4R P32245 2/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CSNK1E P49674 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ KCNA5 P22460 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ KCNE1 P15382 1/20 0.40

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
SCHEMBL20854155 0.95 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5180934 0.94 SLC6A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
Hydrochloric Acid SCHEMBL11555126 0.93 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
Prolintane SCHEMBL54523 0.89 SLC6A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
Prolintane SCHEMBL122811 0.87 SLC6A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
Prolintane SCHEMBL1652326 0.86 SLC6A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL8654793 0.85 SLC6A4 (0.71) SLC6A2SLC6A3SLC6A4IDO1MC4R
SCHEMBL12847334 0.83 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL12847327 0.82 CYP3A4 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL13609978 0.77 HRH3 (0.45) SLC6A2SLC6A3SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 — — US disclosed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 — — US disclosed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 — — EP disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 — — US disclosed
EP-1007523-B9 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-09-08 — — EP disclosed
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 — — US disclosed
EP-1149087-B1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-04-07 — — EP disclosed
EP-1399438-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2004-03-24 — — EP disclosed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 — — EP disclosed
US-6596722-B2 Serotonin reuptake inhibitors/HT3 receptor antagonists useful for treatment of depression, psychosis, anxiety disorders, panic disorder, obsessive compulsive disorder, and eating disorders H. LUNDBECK A/S (DK) 2003-07-22 — — US disclosed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 — — US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 — — EP disclosed
EP-1246818-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2002-10-09 — — EP disclosed
US-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-03-21 — — US disclosed
EP-1149087-A1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2001-10-31 — — EP disclosed
WO-2001049680-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 — — WO disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 — — WO disclosed
WO-2000043382-A1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-07-27 — — WO disclosed
EP-1007523-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-06-14 — — EP disclosed
WO-1999005140-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-02-04 — — 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 (3 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-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 CYP1A2 724/4885CYP3A4 1874/4885CYP2D6 1757/4885
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A CYP1A2 316/4885CYP3A4 515/4885CYP2D6 285/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C CYP1A2 295/4885CYP3A4 468/4885CYP2D6 240/4885

“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.