SCHEMBL17050443

SCHEMBL17050443

C#C[C@H](C)Nc1cc(C)on1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.63
CYP2C9 P11712 1/20 0.41
ACACB O00763 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
EGFR P00533 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
GAPDH P04406 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10806342 1.00 TRPM8 (0.63) TRPM8CYP2C9ACACBRAB9ANPC1
SCHEMBL9911346 0.78 TRPM8 (1.00) TRPM8RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL149194 0.75 TRPM8 (0.70) TRPM8RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL19281348 0.69 ALDH1A1 (0.47) TRPM8CYP2C9RAB9ANPC1ALDH1A1
SCHEMBL22744052 0.69 TRPM8 (0.42) TRPM8CYP2C9RAB9ANPC1ALDH1A1
SCHEMBL9819385 0.69
SCHEMBL30087505 0.68 TRPM8 (0.60) TRPM8RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL1209106 0.66
SCHEMBL9790653 0.66 TRPM8 (0.56) TRPM8RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL12763783 0.65 TRPM8 (0.57) TRPM8RAB9ANPC1ALDH1A1CYP1A2

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 TRPM8 4090/4885CYP2C9 524/4885ACACB 2/4885

“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.