SCHEMBL4134149

SCHEMBL4134149

Clc1ccc2occ(CCI)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH2 Q12809 1/20 0.42
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR2C P28335 2/20 0.41
PDE10A Q9Y233 2/20 0.39
MTNR1A P48039 4/20 0.39
AHR P35869 2/20 0.37
MAOB P27338 1/20 0.37
MTNR1B P49286 2/20 0.36
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15898815 0.86 PTPN1 (0.46) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL4150382 0.83 KCNH2 (0.45) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL14578440 0.83 MTNR1A (0.48) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL15898858 0.80 PTPN1 (0.47) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL177538 0.79 MAOB (0.47) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL4452486 0.79 PTPN1 (0.50) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL2090916 0.79 PTPN1 (0.46) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL2656059 0.78 ALDH1A1 (0.47) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL2092797 0.78 PTPN1 (0.40) PTPN1ALDH1A1HSD17B10KCNH2HTR1A
SCHEMBL4143654 0.76 MTNR1A (0.64) ALDH1A1HTR2CMTNR1AMTNR1BNQO2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 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 (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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A PTPN1 2981/4885ALDH1A1 955/4885HSD17B10 3970/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C PTPN1 4607/4885ALDH1A1 828/4885HSD17B10 2942/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C PTPN1 4607/4885ALDH1A1 828/4885HSD17B10 2942/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 PTPN1 2579/4885ALDH1A1 909/4885HSD17B10 4002/4885

“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.