SCHEMBL3137782

SCHEMBL3137782

CC(C)(C)OC(=O)N1CC2CN3CCCc4cc(Nc5ccccc5)cc(c43)C2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP30 Q70CQ3 3/20 0.39
BUB1 O43683 2/20 0.39
RORC P51449 1/20 0.38
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
NAMPT P43490 1/20 0.37
LIPE Q05469 1/20 0.36
TACR1 P25103 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
SCHEMBL3137786 1.00 GPR119 (0.41) GPR119NPC1RAB9AUSP30BUB1
SCHEMBL3130259 0.86 USP30 (0.44) GPR119NPC1RAB9AUSP30RORC
SCHEMBL3130256 0.86 USP30 (0.44) GPR119NPC1RAB9AUSP30RORC
SCHEMBL3130127 0.82 USP30 (0.37) GPR119NPC1RAB9AUSP30RORC
SCHEMBL3130120 0.82 USP30 (0.37) GPR119NPC1RAB9AUSP30RORC
SCHEMBL3136845 0.82 NR1H2 (0.43) GPR119NPC1RAB9AUSP30RORC
SCHEMBL3127706 0.82 NR1H2 (0.43) GPR119NPC1RAB9AUSP30RORC
SCHEMBL3136405 0.82 USP30 (0.37) GPR119NPC1RAB9AUSP30RORC
SCHEMBL3133792 0.82 MAPT (0.46) GPR119NPC1RAB9AUSP30RORC
SCHEMBL3133799 0.82 MAPT (0.46) GPR119NPC1RAB9AUSP30RORC

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 GPR119 79/4885NPC1 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.