SCHEMBL4880407

SCHEMBL4880407

N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 1.00
GABRP O00591 1/20 0.66
GABRD O14764 1/20 0.66
GABRA1 P14867 1/20 0.66
GABRB1 P18505 1/20 0.66
GABRG2 P18507 1/20 0.66
GABRB3 P28472 1/20 0.66
GABRA5 P31644 1/20 0.66
GABRA3 P34903 1/20 0.66
GABRA2 P47869 1/20 0.66
GABRB2 P47870 1/20 0.66
GABRA4 P48169 1/20 0.66
GABRE P78334 1/20 0.66
GABRA6 Q16445 1/20 0.66
GABRG1 Q8N1C3 1/20 0.66
GABRG3 Q99928 1/20 0.66
GABRQ Q9UN88 1/20 0.66
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63

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
Water SCHEMBL10867618 0.82 HTR6 (0.70) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL6631651 0.81 KDM4E (0.70) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL3836149 0.81 HTR6 (0.67) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL7460028 0.81 HTR6 (0.67) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL2778860 0.81 HTR6 (0.67) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL1675799 0.81 HTR6 (0.67) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL2783986 0.81 HTR6 (0.67) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL7365177 0.81 GABRP (1.00) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL6639190 0.80 HTR6 (0.67) HTR6GABRPGABRDGABRA1GABRB1
Ethylene SCHEMBL7483843 0.79 HTR6 (0.65) HTR6GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
EP-1945213-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 EP disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 WO disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 WO disclosed
US-7041683-B2 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1, 4-benzodiozan WYETH (US) 2006-05-09 US disclosed
US-6987117-B2 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine WYETH (US) 2006-01-17 US disclosed
WO-2002072587-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH (US) 2002-09-19 WO disclosed
US-20020072611-A1 Antipsychotic heterocycle compounds BRISTOL-MYERS SQUIBB COMPANY 2002-06-13 US disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 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 (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-20020072611-A1 Antipsychotic heterocycle compounds HTR2C, DRD2, HTR1A HTR6 23/4885GABRP 293/4885GABRD 473/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR6 1/4885GABRP 445/4885GABRD 598/4885
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 HTR6 139/4885GABRP 366/4885GABRD 769/4885

“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.