SCHEMBL4480936

SCHEMBL4480936

COc1cc(NCc2ccc(Cl)cc2Cl)cc2c1N(C)C[C@@H]1CNC[C@H]21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.38
EPHX2 P34913 1/20 0.38
EIF2AK1 Q9BQI3 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
UTS2R Q9UKP6 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
IDH1 O75874 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL4477909 1.00 P2RX7 (0.38) P2RX7EPHX2EIF2AK1MEN1KMT2A
SCHEMBL13627347 1.00 P2RX7 (0.38) P2RX7EPHX2EIF2AK1MEN1KMT2A
SCHEMBL4241541 0.88 P2RX7 (0.39) P2RX7EPHX2HTTHTR2C
SCHEMBL13627341 0.88 P2RX7 (0.39) P2RX7EPHX2HTTHTR2C
SCHEMBL4481959 0.88 P2RX7 (0.39) P2RX7EPHX2HTTHTR2C
SCHEMBL13627344 0.84 EPHA2 (0.37) P2RX7KDM4EHTR2C
SCHEMBL4482788 0.84 EPHA2 (0.37) P2RX7KDM4EHTR2C
SCHEMBL4482987 0.84 EPHA2 (0.37) P2RX7KDM4EHTR2C
SCHEMBL13627345 0.80 UTS2R (0.40) P2RX7EPHX2MEN1KMT2AUTS2R
SCHEMBL4488827 0.80 UTS2R (0.40) P2RX7EPHX2MEN1KMT2AUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US disclosed
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 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 (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 168/4885EPHX2 2732/4885EIF2AK1 2987/4885

“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.