SCHEMBL4248065

SCHEMBL4248065

Cc1cccc2c1N(C)CC1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
RORC P51449 1/20 0.42
NR1H2 P55055 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
LIPE Q05469 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE4B Q07343 1/20 0.38
NAMPT P43490 1/20 0.38
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
SPR P35270 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 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
SCHEMBL4249376 0.81 USP30 (0.42) USP30RORCGPR119LIPEKDM4E
SCHEMBL4245207 0.78 USP30 (0.41) USP30RORCNR1H2GPR119LIPE
SCHEMBL3138054 0.77 MAPT (0.53) USP30RORCNR1H2GPR119LIPE
SCHEMBL3138291 0.76 MAPT (0.46) USP30RORCNR1H2GPR119LIPE
SCHEMBL3133792 0.76 MAPT (0.46) USP30RORCNR1H2GPR119LIPE
SCHEMBL3133799 0.76 MAPT (0.46) USP30RORCNR1H2GPR119LIPE
SCHEMBL1842300 0.75 GPR119 (0.43) USP30GPR119KDM4EMAPTJAK2
SCHEMBL1841361 0.75 GPR119 (0.43) USP30GPR119KDM4EMAPTJAK2
SCHEMBL17679904 0.74 KDM4E (0.49) USP30RORCNR1H2GPR119KDM4E
SCHEMBL1807112 0.74 USP30 (0.44) USP30RORCNR1H2GPR119LIPE

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 930/4885NR1H2 91/4885

“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.