SCHEMBL4131004

SCHEMBL4131004

O=C1CC=C(c2cc3ccccc3s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
PRKDC P78527 3/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CA12 O43570 3/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ERN1 O75460 2/20 0.38
CYP2A6 P11509 1/20 0.38
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL8596151 0.77 CA2 (0.44) CA9CA1CA2CA12CA4
SCHEMBL5584699 0.72 APP (0.41) APPPTGS1PTGS2CA9CA1
SCHEMBL4359750 0.72 SIGMAR1 (0.50) APPCHRM2CHRM4CHRM5CHRM1
SCHEMBL678851 0.72 APP (0.41) APPPRKDCPTGS1PTGS2CA9
SCHEMBL845603 0.71 APP (0.63) APPCA9CA1CA2CHRM2
SCHEMBL29732980 0.71 APP (0.63) APPCA9CA1CA2CHRM2
Hydrochloric Acid SCHEMBL8321976 0.71 HTR2C (0.51) APP
SCHEMBL11880744 0.70 QDPR (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20010850 0.69 GSTP1 (0.47) PRKDCCA9CA1CA2HSD17B1
SCHEMBL10198086 0.68 MAT2A (0.45) CYP2A6

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 5 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
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
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 (2 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-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C APP 1780/4885PRKDC 4540/4885PTGS1 1287/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C APP 1780/4885PRKDC 4540/4885PTGS1 1287/4885

“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.