SCHEMBL4472375

SCHEMBL4472375

Cc1cc(Nc2ccccc2C(F)(F)F)cc2c1N(C)CC1CNCC21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
TAS2R14 Q9NYV8 2/20 0.34
KMT2A Q03164 4/20 0.33
TP53 P04637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NTSR1 P30989 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KHK P50053 1/20 0.32
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX12 P18054 2/20 0.31

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
SCHEMBL4472041 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BTAS2R14KMT2A
SCHEMBL13627331 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BTAS2R14KMT2A
SCHEMBL13627343 0.87 EGFR (0.36) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL4473434 0.87 EGFR (0.36) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL5955674 0.85 GAA (0.38) HTR2AHTR2CHTR2BGAACYP3A4
SCHEMBL4473034 0.85 GAA (0.38) HTR2AHTR2CHTR2BGAACYP3A4
SCHEMBL13627340 0.85 GAA (0.38) HTR2AHTR2CHTR2BGAACYP3A4
SCHEMBL13627330 0.83 BPTF (0.33) NPSR1
SCHEMBL4472029 0.83 BPTF (0.33) NPSR1
SCHEMBL3136866 0.78 HTR2A (0.36) HTR2AHTR2CHTR2BKMT2ATP53

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 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 HTR2A 8/4885HTR2C 2/4885HTR2B 3/4885

“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.