SCHEMBL14415969

SCHEMBL14415969

Cn1cnc(C(C)(C)CN)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTOR P42345 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
TAAR1 Q96RJ0 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
SCHEMBL13944416 0.82 CYP2C9 (0.38) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13563924 0.78 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL443058 0.76 CYP2C9 (0.39) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL25015250 0.73 CYP2C9 (0.38) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL14037264 0.72 CYP2C19 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL18871348 0.72 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2611129 0.70 TSHR (0.39) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL24311782 0.69 CYP2C9 (0.34) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL8472358 0.69 CYP2C9 (0.39) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL9055690 0.69 TAAR1 (0.41) TAAR1

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-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS CYP2C9 1507/4885TSHR 1799/4885CYP2C19 2298/4885

“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.