SCHEMBL18003165

SCHEMBL18003165

O=Cc1cc(OCC2CCO2)cc(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 16/20 0.42
▸ P2RX2 Q9UBL9 16/20 0.42
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRM5 P41594 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34

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
SCHEMBL18003794 0.82 CHRNB2 (0.34) GRIN1GRIN2BGRM5CHRNB2CHRNA4
SCHEMBL26070195 0.81 CHRNB2 (0.36) GRM5CHRNB2CHRNA4
SCHEMBL18003162 0.80 RXRA (0.41) GRM5
SCHEMBL16398547 0.79 PTGS1 (0.41) P2RX3P2RX2
SCHEMBL18003883 0.78 PTGS1 (0.40) P2RX3P2RX2
SCHEMBL18003797 0.76 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL18004751 0.76 P2RX3 (0.39) P2RX3P2RX2GRIN1GRIN2B
SCHEMBL18003888 0.75 SCN9A (0.37) P2RX3P2RX2
SCHEMBL18003239 0.74 SYK (0.40) P2RX3P2RX2
SCHEMBL16397962 0.74 DGAT1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 P2RX3 4601/4885P2RX2 4531/4885GRIN1 821/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 P2RX3 4601/4885P2RX2 4531/4885GRIN1 821/4885

“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.

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