SCHEMBL4241541

SCHEMBL4241541

Cc1cc(NCc2ccc(Cl)cc2Cl)cc2c1N(C)CC1CNCC21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.39
HTR2C P28335 1/20 0.36
EPHX2 P34913 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4481959 1.00 P2RX7 (0.39) P2RX7HTR2CEPHX2GAAHTT
SCHEMBL13627341 1.00 P2RX7 (0.39) P2RX7HTR2CEPHX2GAAHTT
SCHEMBL4477909 0.88 P2RX7 (0.38) P2RX7HTR2CEPHX2HTT
SCHEMBL4480936 0.88 P2RX7 (0.38) P2RX7HTR2CEPHX2HTT
SCHEMBL13627347 0.88 P2RX7 (0.38) P2RX7HTR2CEPHX2HTT
SCHEMBL4489439 0.83 HTR2C (0.38) HTR2C
SCHEMBL13627333 0.83 HTR2C (0.38) HTR2C
SCHEMBL4492625 0.81 CHRNB2 (0.40) HTR2CGAAHTT
SCHEMBL13627337 0.81 CHRNB2 (0.40) HTR2CGAAHTT
SCHEMBL13627340 0.79 GAA (0.38) P2RX7HTR2CEPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773833-A4 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP claimed
EP-1773833-A2 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-04-18 EP claimed
WO-2006019940-A2 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO claimed
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, HTR3B, HTR2C, HTR2B P2RX7 168/4885HTR2C 2/4885EPHX2 2732/4885

“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.