SCHEMBL4248190

SCHEMBL4248190

Cc1cccc2c1NC(=O)C1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.44
CRBN Q96SW2 3/20 0.44
KDM4E B2RXH2 1/20 0.43
USP30 Q70CQ3 1/20 0.42
RORC P51449 1/20 0.42
BACE1 P56817 3/20 0.39
LIPE Q05469 2/20 0.39
PDE4B Q07343 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 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
SCHEMBL4243598 0.86 PDE4B (0.46) DDB1CRBNKDM4EUSP30RORC
SCHEMBL4473055 0.85 ALDH1A1 (0.48) DDB1CRBNKDM4EUSP30RORC
SCHEMBL4482441 0.85 ALDH1A1 (0.48) DDB1CRBNKDM4EUSP30RORC
SCHEMBL4473052 0.85 ALDH1A1 (0.48) DDB1CRBNKDM4EUSP30RORC
SCHEMBL4493838 0.85 ALDH1A1 (0.48) DDB1CRBNKDM4EUSP30RORC
SCHEMBL4494774 0.83 DDB1 (0.34) DDB1CRBNMEN1KMT2A
SCHEMBL4245207 0.81 USP30 (0.41) DDB1CRBNKDM4EUSP30RORC
SCHEMBL4249376 0.79 USP30 (0.42) DDB1CRBNKDM4EUSP30RORC
SCHEMBL13894677 0.76 KDM4E (0.39) DDB1CRBNKDM4EUSP30RORC
SCHEMBL4473399 0.75 HTR2A (0.50) DDB1CRBNKDM4EUSP30RORC

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 DDB1 3514/4885CRBN 3202/4885KDM4E 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.