SCHEMBL18005396

SCHEMBL18005396

N#Cc1[nH]nnc1-c1nc(-c2cc(F)ccc2C(F)(F)F)oc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
NOTUM Q6P988 4/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
RBP4 P02753 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
SCHEMBL18005409 0.83 CYP11B1 (0.33)
SCHEMBL18005276 0.82 PRCP (0.42)
SCHEMBL18005492 0.81 NOTUM (0.35) NOTUM
SCHEMBL18005356 0.81 L3MBTL1 (0.40) NOTUM
SCHEMBL18005439 0.81 NOTUM (0.37) NOTUM
SCHEMBL18005326 0.80 CETP (0.36) NOTUM
SCHEMBL18005287 0.80 KDM4E (0.38) TRPA1
SCHEMBL18005564 0.78 MCHR1 (0.34) NOTUM
SCHEMBL16399129 0.78 NOTUM (0.40) NOTUM
SCHEMBL18005351 0.78 KDM1A (0.33)

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 TRPA1 3643/4885NOTUM 1379/4885SLC6A2 2400/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TRPA1 3643/4885NOTUM 1379/4885SLC6A2 2400/4885

“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.