SCHEMBL21945356

SCHEMBL21945356

Cc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
CNR1 P21554 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
SCHEMBL26071119 0.85
SCHEMBL18006464 0.81 ERBB2 (0.37)
SCHEMBL25094239 0.67 KMT2A (0.49) CNR1
SCHEMBL25457232 0.66 MAOB (0.33) CNR1
SCHEMBL279659 0.61 RAB9A (0.39) HPGDXBP1
SCHEMBL15215044 0.60 IDO1 (0.32)
SCHEMBL1680703 0.58 CHRM2 (0.40)
SCHEMBL12352087 0.58 CHRM2 (0.40)
SCHEMBL28274137 0.58 MAOB (0.54) HPGD
SCHEMBL13328388 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 HPGD 2152/4885XBP1 2536/4885CNR1 2229/4885

“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.