SCHEMBL4069463

SCHEMBL4069463

O=Cc1cccc(C(F)(F)F)c1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
NFKB1 P19838 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.40
CTSS P25774 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ERN1 O75460 1/20 0.37

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
SCHEMBL4071542 0.80 LMNA (0.49) MAOBNFKB1LMNASMN1; SMN2MAOA
SCHEMBL29953468 0.80 LMNA (0.49) MAOBNFKB1LMNASMN1; SMN2MAOA
SCHEMBL2975410 0.78 ERN1 (0.52) LMNASMN1; SMN2MEN1KMT2AERN1
SCHEMBL17840319 0.74 ALDH1A1 (0.45) LMNATAS2R14MEN1KMT2APTGS2
Trifluoroacetic Acid SCHEMBL1922217 0.73 NFKB1 (0.56) MAOBNFKB1LMNAMAOANPC1
SCHEMBL1125310 0.72 ERN1 (0.57) MAOBNFKB1LMNAMEN1KMT2A
SCHEMBL735425 0.72 ALDH1A1 (0.43) NFKB1LMNACTSSTAS2R14MEN1
SCHEMBL30843799 0.72 ERN1 (0.57) MAOBNFKB1LMNAMEN1KMT2A
SCHEMBL6853771 0.71 NFKB1 (0.44) MAOBNFKB1LMNACTSSMEN1
SCHEMBL15427700 0.71 ALDH1A1 (0.40) NPC1MAPTPKMRAB9AMEN1

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 5 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
EP-1773833-A4 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
EP-1773833-A2 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2006019940-A2 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO 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 MAOB 59/4885NFKB1 2164/4885LMNA 3641/4885

“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.