SCHEMBL3135530

SCHEMBL3135530

CC(C)(C)OC(=O)N1CC2CN3CCc4cc(Br)cc(c43)C2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
USP30 Q70CQ3 3/20 0.38
NR1H2 P55055 2/20 0.38
LIPE Q05469 2/20 0.37
GPR119 Q8TDV5 4/20 0.36
PDE4B Q07343 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 1/20 0.35
RORC P51449 3/20 0.35
POLB P06746 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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 0.94 USP30 (0.37) ESR2USP30NR1H2LIPEGPR119
SCHEMBL3136405 0.94 USP30 (0.37) ESR2USP30NR1H2LIPEGPR119
SCHEMBL3130127 0.94 USP30 (0.37) ESR2USP30NR1H2LIPEGPR119
SCHEMBL3134744 0.87 NR1H2 (0.47) ESR2USP30NR1H2LIPEGPR119
SCHEMBL3127629 0.86 NPC1 (0.42) USP30LIPEGPR119
SCHEMBL3127634 0.86 NPC1 (0.42) USP30LIPEGPR119
SCHEMBL3138054 0.83 MAPT (0.53) ESR2USP30NR1H2LIPEGPR119
SCHEMBL3127706 0.81 NR1H2 (0.43) ESR2USP30NR1H2LIPEGPR119
SCHEMBL3136845 0.81 NR1H2 (0.43) ESR2USP30NR1H2LIPEGPR119
SCHEMBL5421540 0.79 USP30 (0.41) ESR2USP30NR1H2GPR119PRMT5

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 ESR2 2912/4885USP30 4353/4885NR1H2 1737/4885

“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.