SCHEMBL1636729

SCHEMBL1636729

CN1C(=O)N(c2nccc(C(F)(F)F)n2)CC1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.57
ACACB O00763 3/20 0.39
ADRB1 P08588 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL1637381 0.85 P2RX7 (0.61) P2RX7ACACBADRB1HCRTR1HCRTR2
SCHEMBL1636108 0.84 P2RX7 (0.56) P2RX7HCRTR1HCRTR2
SCHEMBL1636701 0.83 P2RX7 (0.47) P2RX7
SCHEMBL1635930 0.78 P2RX7 (0.50) P2RX7
SCHEMBL1637690 0.77 P2RX7 (0.56) P2RX7ACACB
SCHEMBL1636761 0.74 P2RX7 (0.51) P2RX7
SCHEMBL1636732 0.74 P2RX7 (0.45) P2RX7
SCHEMBL1636796 0.74 P2RX7 (0.45) P2RX7
SCHEMBL14041470 0.73 P2RX7 (0.68) P2RX7
SCHEMBL1637705 0.73 P2RX7 (0.53) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932282-B2 Imidazolidine carboxamide derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
US-20100075968-A1 Imidazolidine Carboxamide Derivatives as P2X7 Modulators GLAXO GROUP LIMITED (GB) 2010-03-25 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-20100075968-A1 Imidazolidine Carboxamide Derivatives as P2X7 Modulators P2RX3, P2RX7, P2RX5 P2RX7 2/4885ACACB 4178/4885ADRB1 272/4885

“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.