SCHEMBL4243404

SCHEMBL4243404

CC(C)(C)OC(=O)c1c(/C=C/C(=O)O)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.46
NFKB1 P19838 2/20 0.46
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
P4HB P07237 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ITGB3 P05106 1/20 0.38

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
SCHEMBL4243406 1.00 MAOB (0.46) MAOBNFKB1LMNAMAPTMEN1
SCHEMBL4473051 0.83 MAOB (0.45) MAOBNFKB1LMNAMAPTMEN1
SCHEMBL4473057 0.83 MAOB (0.45) MAOBNFKB1LMNAMAPTMEN1
SCHEMBL4245838 0.82 MAOB (0.37) MAOBNFKB1LMNAMAPTMEN1
SCHEMBL4252371 0.79 MAPT (0.44) MAOBNFKB1LMNAMAPTMEN1
SCHEMBL22400331 0.76 LMNA (0.43) LMNAKMT2APOLB
SCHEMBL29365331 0.75 NFKB1 (0.77) MAOBNFKB1LMNAMAPTMEN1
SCHEMBL82266 0.75 NFKB1 (0.77) MAOBNFKB1LMNAMAPTMEN1
SCHEMBL82267 0.75 NFKB1 (0.77) MAOBNFKB1LMNAMAPTMEN1
SCHEMBL8055837 0.75 NFKB1 (0.77) MAOBNFKB1LMNAMAPTMEN1

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.