SCHEMBL1194345

SCHEMBL1194345

Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
P2RX7 Q99572 17/20 0.53
AR P10275 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL11539322 0.88 RAB9A (0.58) NPC1RAB9AP2RX7PTGDR2
SCHEMBL1195590 0.86 NPC1 (0.73) NPC1RAB9AP2RX7PTGDR2
SCHEMBL11264646 0.85 NPC1 (0.56) NPC1RAB9AP2RX7PTGDR2
SCHEMBL8512906 0.84 NPC1 (0.62) NPC1RAB9AP2RX7PTGDR2
SCHEMBL11254639 0.83 PDE4D (0.59) NPC1RAB9AP2RX7PTGDR2
SCHEMBL21711442 0.82 SLC34A1 (0.73)
SCHEMBL8511017 0.79 PTGDR2 (0.60) P2RX7PTGDR2
SCHEMBL28734538 0.79 PTGDR2 (0.50) NPC1RAB9AP2RX7PTGDR2
SCHEMBL28734553 0.79 NPC1 (0.49) NPC1RAB9AP2RX7ARPTGDR2
SCHEMBL3828501 0.77 NPC1 (0.57) NPC1RAB9AP2RX7PTGDR2

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-2155685-B1 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2011-03-16 EP disclosed
US-20110046137-A1 Pyrazole Derivatives as P2X7 Modulators GLAXO GROUP LIMITED 2011-02-24 US disclosed
EP-2155685-A1 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-02-24 EP disclosed
WO-2008138876-A1 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-11-20 WO 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-20110046137-A1 Pyrazole Derivatives as P2X7 Modulators P2RX3, P2RX7, P2RX1 NPC1 1266/4885RAB9A 2601/4885P2RX7 2/4885

“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.