SCHEMBL3136405

SCHEMBL3136405

CC(C)(C)OC(=O)N1C[C@H]2CN3CCCc4cc(Br)cc(c43)[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RORC P51449 3/20 0.36
NR1H2 P55055 2/20 0.36
LIPE Q05469 2/20 0.36
PDE4B Q07343 3/20 0.35
GPR119 Q8TDV5 4/20 0.35
ESR2 Q92731 1/20 0.35
NAMPT P43490 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
SCHEMBL3130120 1.00 USP30 (0.37) USP30NPC1RAB9ARORCNR1H2
SCHEMBL3130127 1.00 USP30 (0.37) USP30NPC1RAB9ARORCNR1H2
SCHEMBL3135530 0.94 ESR2 (0.38) USP30RORCNR1H2LIPEPDE4B
SCHEMBL3127634 0.92 NPC1 (0.42) USP30NPC1RAB9ALIPEGPR119
SCHEMBL3127629 0.92 NPC1 (0.42) USP30NPC1RAB9ALIPEGPR119
SCHEMBL3136845 0.88 NR1H2 (0.43) USP30NPC1RAB9ARORCNR1H2
SCHEMBL3127706 0.88 NR1H2 (0.43) USP30NPC1RAB9ARORCNR1H2
SCHEMBL3130256 0.84 USP30 (0.44) USP30NPC1RAB9ARORCGPR119
SCHEMBL3130259 0.84 USP30 (0.44) USP30NPC1RAB9ARORCGPR119
SCHEMBL3136815 0.84 USP2 (0.33)

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 4353/4885NPC1 1598/4885RAB9A 177/4885

“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.