SCHEMBL4489439

SCHEMBL4489439

Cc1cc(Nc2ccc(Cl)cc2Cl)cc2c1N(C)C[C@@H]1CNC[C@H]21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
DPP4 P27487 2/20 0.31
LMNA P02545 1/20 0.30
MAPK14 Q16539 1/20 0.30
JAK3 P52333 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL13627333 1.00 HTR2C (0.38) HTR2CCNR2SMN1; SMN2DPP4LMNA
SCHEMBL13627344 0.87 EPHA2 (0.37) HTR2CCNR2
SCHEMBL4482987 0.87 EPHA2 (0.37) HTR2CCNR2
SCHEMBL4482788 0.87 EPHA2 (0.37) HTR2CCNR2
SCHEMBL4481959 0.83 P2RX7 (0.39) HTR2C
SCHEMBL13627341 0.83 P2RX7 (0.39) HTR2C
SCHEMBL4241541 0.83 P2RX7 (0.39) HTR2C
SCHEMBL4472029 0.80 BPTF (0.33)
SCHEMBL13627330 0.80 BPTF (0.33)
SCHEMBL13270031 0.78 HTR2C (0.39) HTR2CCNR2DPP4MAPK14

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 HTR2C 2/4885CNR2 30/4885SMN1; SMN2 4081/4885

“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.