SCHEMBL18174957

SCHEMBL18174957

CC(C)c1cnc(C(F)(F)F)nn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL14804005 0.81
SCHEMBL12197725 0.72 CYP3A4 (0.43) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL12197726 0.71 RXRA (0.33)
SCHEMBL26569780 0.70 TRPV4 (0.39)
SCHEMBL8737260 0.69 NOS3 (0.31)
SCHEMBL6124123 0.69 APLNR (0.32)
SCHEMBL18068016 0.68 CYP3A4 (0.44) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL13729618 0.68 CYP3A4 (0.43) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL18068094 0.67 CYP3A4 (0.50) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL25522602 0.67 NOS3 (0.34)

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-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 US disclosed
EP-3085695-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2016-10-26 EP 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-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G CYP3A4 1773/4885CYP2D6 1095/4885TSHR 478/4885

“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.