SCHEMBL18004751

SCHEMBL18004751

N#Cc1[nH]nnc1-c1cc(OCC2CCO2)cc(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 17/20 0.39
▸ P2RX2 Q9UBL9 17/20 0.39
▸ EGLN2 Q96KS0 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL18004747 0.84 CHRNB2 (0.33) KDM1AMAOB
SCHEMBL18004673 0.84 CYP11B1 (0.36) —
SCHEMBL16398862 0.83 TRPA1 (0.34) P2RX3P2RX2KDM1AMAOB
SCHEMBL18004670 0.83 TRPA1 (0.34) P2RX3P2RX2KDM1AMAOB
SCHEMBL18004748 0.83 CHRNB2 (0.35) KDM1AMAOB
SCHEMBL16399147 0.82 P2RX3 (0.35) P2RX3P2RX2
SCHEMBL18004749 0.80 TRPA1 (0.32) P2RX3P2RX2KDM1AMAOB
SCHEMBL18004745 0.80 RET (0.35) P2RX3P2RX2
SCHEMBL18004646 0.80 FFAR4 (0.36) —
SCHEMBL18004657 0.80 TRPA1 (0.34) KDM1AMAOB

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 4531/4885EGLN2 1952/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 P2RX3 4601/4885P2RX2 4531/4885EGLN2 1952/4885

“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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