SCHEMBL4477342

SCHEMBL4477342

COc1cc(-c2ccccc2C(F)(F)F)cc2c1NC[C@@H]1CNC[C@H]21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 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
SCHEMBL4472523 1.00 TRPA1 (0.36) TRPA1TRPM8PGRARHTR2A
SCHEMBL13627313 1.00 TRPA1 (0.36) TRPA1TRPM8PGRARHTR2A
SCHEMBL13627327 0.86 TRPA1 (0.42) TRPA1TRPM8HTR2AHTR2CHTR2B
SCHEMBL4482328 0.86 TRPA1 (0.42) TRPA1TRPM8HTR2AHTR2CHTR2B
SCHEMBL4478989 0.86 TRPA1 (0.42) TRPA1TRPM8HTR2AHTR2CHTR2B
SCHEMBL4250357 0.82 HTR2C (0.38) HTR2C
SCHEMBL13627312 0.82 HTR2C (0.38) HTR2C
SCHEMBL4477738 0.78 TRPA1 (0.41) TRPA1TRPM8ARHTR2AHTR2C
SCHEMBL13627348 0.78 TRPA1 (0.41) TRPA1TRPM8ARHTR2AHTR2C
SCHEMBL4479389 0.76 CYP1A1 (0.35) HTR2AHTR2CHTR2B

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 TRPA1 655/4885TRPM8 1107/4885PGR 895/4885

“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.