SCHEMBL4473434

SCHEMBL4473434

COc1cc(Nc2ccccc2C(F)(F)F)cc2c1N(C)CC1CNCC21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MAPK14 Q16539 1/20 0.35
PDE4D Q08499 1/20 0.35
DDX3X O00571 2/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAP4K1 Q92918 1/20 0.34
ITGA4 P13612 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL13627343 1.00 EGFR (0.36) EGFRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4472375 0.87 HTR2A (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL13627331 0.87 HTR2A (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4472041 0.87 HTR2A (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL13627345 0.86 UTS2R (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4488827 0.86 UTS2R (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4482834 0.84 BRAF (0.34) ALDH1A1KDM4ECYP3A4MAP4K1MEN1
SCHEMBL13627342 0.84 BRAF (0.34) ALDH1A1KDM4ECYP3A4MAP4K1MEN1
SCHEMBL4482987 0.79 EPHA2 (0.37) EGFRKDM4EHTR2CP2RX7
SCHEMBL4482788 0.79 EPHA2 (0.37) EGFRKDM4EHTR2CP2RX7

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
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US 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
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 EGFR 4033/4885ALDH1A1 3212/4885KDM4E 2451/4885

“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.