SCHEMBL4249376

SCHEMBL4249376

Cc1cccc2c1N(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
RORC P51449 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LIPE Q05469 2/20 0.39
PDE4B Q07343 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
NAMPT P43490 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL4481078 0.86 PDE4B (0.46) USP30RORCKDM4ELIPEPDE4B
SCHEMBL4482309 0.85 RORC (0.47) USP30RORCKDM4ELIPEPDE4B
SCHEMBL4248065 0.81 USP30 (0.44) USP30RORCKDM4ELIPEPDE4B
SCHEMBL4248190 0.79 DDB1 (0.44) USP30RORCKDM4ELIPEPDE4B
SCHEMBL3141712 0.77 USP30 (0.45) USP30RORCKDM4ELIPEPDE4B
SCHEMBL3136411 0.76 USP30 (0.43) USP30RORCKDM4ELIPEPDE4B
SCHEMBL3135515 0.76 USP30 (0.43) USP30RORCKDM4ELIPEPDE4B
SCHEMBL1841361 0.75 GPR119 (0.43) USP30KDM4EGPR119MAPT
SCHEMBL1842300 0.75 GPR119 (0.43) USP30KDM4EGPR119MAPT
SCHEMBL17679904 0.74 KDM4E (0.49) USP30RORCKDM4EGPR119NAMPT

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 USP30 3758/4885RORC 930/4885KDM4E 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.