SCHEMBL4150382

SCHEMBL4150382

OCCc1coc2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
HTR2C P28335 2/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE10A Q9Y233 2/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 2/20 0.39
NQO2 P16083 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAOB P27338 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
SCHEMBL4140111 0.86 MAPT (0.40) KCNH2HTR1AHTR1DHTR2CALDH1A1
SCHEMBL177538 0.86 MAOB (0.47) KCNH2HTR1AHTR1DHTR2CPTPN1
SCHEMBL4134149 0.83 PTPN1 (0.44) KCNH2HTR1AHTR1DHTR2CPTPN1
SCHEMBL14578440 0.83 MTNR1A (0.48) KCNH2HTR1AHTR1DHTR2CPTPN1
SCHEMBL8787860 0.82 CYP1A2 (0.45) KCNH2ALDH1A1HSD17B10PDE10AMTNR1A
SCHEMBL2656059 0.81 ALDH1A1 (0.47) KCNH2HTR1AHTR1DHTR2CPTPN1
SCHEMBL15898858 0.80 PTPN1 (0.47) KCNH2HTR1AHTR1DHTR2CPTPN1
SCHEMBL4144098 0.79 HTR6 (0.48) HTR1AHTR1DHTR2CPTPN1PDE10A
SCHEMBL8189977 0.79 ALDH1A1 (0.45) HTR1AHTR1DHTR2CPTPN1ALDH1A1
SCHEMBL19627153 0.79 THRB (0.50) HTR1AHTR1DHTR2CALDH1A1MTNR1A

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 KCNH2 707/4885HTR1A 8/4885HTR1D 10/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C KCNH2 1217/4885HTR1A 12/4885HTR1D 26/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C KCNH2 1217/4885HTR1A 12/4885HTR1D 26/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 KCNH2 642/4885HTR1A 7/4885HTR1D 9/4885

“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.