SCHEMBL3136411

SCHEMBL3136411

CC(C)(C)OC(=O)N1CC2C(=O)N3CCCc4cccc(c43)C2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
LIPE Q05469 2/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NAMPT P43490 1/20 0.40
RORC P51449 1/20 0.39
KDM1A O60341 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
SCN9A Q15858 1/20 0.36
PDE4B Q07343 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
SCHEMBL3135515 1.00 USP30 (0.43) USP30LIPEDDB1CRBNKDM4E
SCHEMBL3141712 0.94 USP30 (0.45) USP30LIPEDDB1CRBNKDM4E
SCHEMBL3138404 0.93 DDB1 (0.42) USP30LIPEDDB1CRBNNAMPT
SCHEMBL3138393 0.82 USP30 (0.42) USP30LIPEDDB1CRBNKDM4E
SCHEMBL3133792 0.81 MAPT (0.46) USP30LIPEDDB1CRBNKDM4E
SCHEMBL3138291 0.81 MAPT (0.46) USP30LIPEDDB1CRBNKDM4E
SCHEMBL3133799 0.81 MAPT (0.46) USP30LIPEDDB1CRBNKDM4E
SCHEMBL13270206 0.79 ALDH1A1 (0.46) KDM4E
SCHEMBL3133653 0.79 ALDH1A1 (0.46) KDM4E
SCHEMBL3137692 0.79 ALDH1A1 (0.46) KDM4E

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 1628/4885DDB1 4604/4885

“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.