SCHEMBL3138393

SCHEMBL3138393

CC(C)(C)OC(=O)N1CC2C(=O)N3CCCOc4cccc(c43)C2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.42
LIPE Q05469 2/20 0.41
KDM4E B2RXH2 1/20 0.39
RORC P51449 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
SCN9A Q15858 1/20 0.35
IDO1 P14902 1/20 0.35
PDE4B Q07343 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3136411 0.82 USP30 (0.43) USP30LIPEKDM4ERORCGPR119
SCHEMBL3135515 0.82 USP30 (0.43) USP30LIPEKDM4ERORCGPR119
SCHEMBL3136760 0.82 USP30 (0.40) USP30LIPEKDM4ERORCGPR119
SCHEMBL3141712 0.80 USP30 (0.45) USP30LIPEKDM4ERORCGPR119
SCHEMBL5636127 0.80 HTR2A (0.45) USP30GPR119
SCHEMBL3138404 0.76 DDB1 (0.42) USP30LIPEGPR119DDB1CRBN
SCHEMBL4249376 0.73 USP30 (0.42) USP30LIPEKDM4ERORCGPR119
SCHEMBL3136449 0.73 DRD2 (0.48) SCN9A
SCHEMBL4481078 0.72 PDE4B (0.46) USP30LIPEKDM4ERORCPDE4B
SCHEMBL4482309 0.71 RORC (0.47) USP30LIPEKDM4ERORCSCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399445-B9 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
EP-1399445-B1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-08-05 EP disclosed
US-6777406-B2 SUCH AS PYRIDO(3,2,1-IJ)PYRROLO(3,4-C)QUINOLIN-8-ONE DERI-VATIVES; CENTRAL NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-17 US disclosed
US-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2004-05-13 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-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS HTR1B, HTR2B, HTR1A USP30 4353/4885LIPE 1628/4885KDM4E 1648/4885

“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.