SCHEMBL4245207

SCHEMBL4245207

Cc1cccc2c1NCC1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
RORC P51449 1/20 0.41
BTK Q06187 3/20 0.41
KDM4E B2RXH2 1/20 0.40
NR1H2 P55055 1/20 0.40
GPR119 Q8TDV5 4/20 0.39
LIPE Q05469 2/20 0.39
PDE4B Q07343 1/20 0.38
SPR P35270 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4246712 0.87 PDE4B (0.45) USP30RORCBTKKDM4ELIPE
SCHEMBL13894677 0.84 KDM4E (0.39) USP30RORCKDM4EGPR119PDE4B
SCHEMBL4479996 0.83 CHRNB2 (0.35)
SCHEMBL31503237 0.82 MAPK1 (0.47) USP30RORCBTKKDM4ENR1H2
SCHEMBL4246769 0.82 NR1H2 (0.38) USP30RORCBTKKDM4ENR1H2
SCHEMBL4248190 0.81 DDB1 (0.44) USP30RORCKDM4EGPR119LIPE
SCHEMBL1804180 0.80 USP30 (0.46) USP30RORCBTKKDM4ENR1H2
SCHEMBL1808601 0.80 USP30 (0.46) USP30RORCBTKKDM4ENR1H2
SCHEMBL1804183 0.80 USP30 (0.46) USP30RORCBTKKDM4ENR1H2
SCHEMBL19818347 0.79 USP30 (0.47) USP30RORCBTKKDM4ENR1H2

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 930/4885BTK 1966/4885

“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.