SCHEMBL4137019

SCHEMBL4137019

COc1ccc2c(CCI)coc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.51
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PIN1 Q13526 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NQO2 P16083 1/20 0.48
MTNR1B P49286 1/20 0.48
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL4143654 0.88 MTNR1A (0.64) MTNR1AALDH1A1NQO2MTNR1BTSHR
SCHEMBL4131741 0.84 PIN1 (0.54) MTNR1ACYP11B1CYP11B2MAPTTDP1
SCHEMBL15356100 0.84 MAPT (0.50) MTNR1ACYP11B1CYP11B2MAPTTDP1
SCHEMBL1104013 0.84 ADRA1A (0.53) MTNR1ACYP11B1CYP11B2MAPTTDP1
SCHEMBL23188008 0.82 CYP11B1 (0.57) CYP11B1CYP11B2MAPTTDP1PIN1
SCHEMBL10668569 0.82 MTNR1A (0.56) MTNR1ACYP11B1CYP11B2MAPTTDP1
SCHEMBL25029853 0.82 HTR6 (0.55) MTNR1ACYP11B1CYP11B2MAPTTDP1
SCHEMBL1451105 0.81 KDM4E (0.53) CYP11B1CYP11B2MAPTTDP1PIN1
SCHEMBL5205684 0.81 PIN1 (0.57) CYP11B1CYP11B2MAPTTDP1PIN1
SCHEMBL25029815 0.80 MTNR1A (0.56) MTNR1AMAPTTDP1KDM4EALDH1A1

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 MTNR1A 134/4885CYP11B1 1999/4885CYP11B2 1785/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C MTNR1A 723/4885CYP11B1 1477/4885CYP11B2 1108/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C MTNR1A 723/4885CYP11B1 1477/4885CYP11B2 1108/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 MTNR1A 147/4885CYP11B1 1954/4885CYP11B2 1836/4885

“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.