SCHEMBL4246712

SCHEMBL4246712

COc1cccc2c1NCC1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.45
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
USP30 Q70CQ3 1/20 0.40
LIPE Q05469 1/20 0.40
RORC P51449 1/20 0.40
BTK Q06187 3/20 0.40
MDM4 O15151 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4245207 0.87 USP30 (0.41) PDE4BUSP30LIPERORCBTK
SCHEMBL4479966 0.85 MDM4 (0.42) MDM4KDM4E
SCHEMBL4242681 0.83 PDE4B (0.44) PDE4BCCNT1CDK9USP30LIPE
SCHEMBL4242684 0.83 PDE4B (0.44) PDE4BCCNT1CDK9USP30LIPE
SCHEMBL4243598 0.81 PDE4B (0.46) PDE4BUSP30LIPERORCKDM4E
SCHEMBL31503237 0.81 MAPK1 (0.47) PDE4BUSP30LIPERORCBTK
SCHEMBL1804183 0.78 USP30 (0.46) USP30LIPERORCBTKKDM4E
SCHEMBL1808601 0.78 USP30 (0.46) USP30LIPERORCBTKKDM4E
SCHEMBL1804180 0.78 USP30 (0.46) USP30LIPERORCBTKKDM4E
SCHEMBL19818347 0.77 USP30 (0.47) USP30LIPERORCBTKKDM4E

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 PDE4B 517/4885CCNT1 4355/4885CDK9 4318/4885

“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.