SCHEMBL14660897

SCHEMBL14660897

Cc1ccc2c(n1)OCC2N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
CCR1 P32246 2/20 0.31
RAB9A P51151 1/20 0.31
CCR5 P51681 1/20 0.31
TAAR1 Q96RJ0 3/20 0.30
CYP2D6 P10635 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL7920683 0.79 P2RX7 (0.40) P2RX7CCR1RAB9ACCR5CCR8
SCHEMBL14661093 0.78 P2RX7 (0.39) P2RX7TAAR1CYP2D6
SCHEMBL31238912 0.75 P2RX7 (0.32) P2RX7
SCHEMBL31613628 0.75 P2RX7 (0.32) P2RX7
Hydrochloric Acid SCHEMBL31744947 0.74 P2RX7 (0.31) P2RX7
Hydrochloric Acid SCHEMBL31174272 0.74 P2RX7 (0.31) P2RX7
SCHEMBL15770262 0.68 P2RX7 (0.44) P2RX7
SCHEMBL14661116 0.68 P2RX7 (0.44) P2RX7
SCHEMBL14661462 0.65 HTR2A (0.32)
SCHEMBL22867760 0.64 CYP19A1 (0.41)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734526-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-06 EP disclosed
US-9221832-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-29 US disclosed
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-12 US disclosed
EP-2734526-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-05-28 EP disclosed
WO-2013014587-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-31 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-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 P2RX7 1/4885NOS3 1774/4885NOS2 1937/4885

“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.