SCHEMBL7706443

SCHEMBL7706443

Cc1ccc(NC2(C#N)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 2/20 0.55
CA5A P35218 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA13 Q8N1Q1 2/20 0.55
CA14 Q9ULX7 2/20 0.55
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.54
OPRM1 P35372 1/20 0.52
ALDH1A1 P00352 2/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2985757 0.91 SMN1; SMN2 (0.75) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL654710 0.88 SMN1; SMN2 (0.64) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16876701 0.87 SMN1; SMN2 (0.63) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL5561697 0.87 SMN1; SMN2 (0.63) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16876699 0.87 SMN1; SMN2 (0.63) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL8896675 0.86 SMN1; SMN2 (0.59) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL7705959 0.86 SMN1; SMN2 (0.59) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16876738 0.83 SMN1; SMN2 (0.53) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL16876702 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL6045501 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 US disclosed
EP-0921125-B1 1,3,8-Triazaspiro[4,5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2002-01-30 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-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 SMN1; SMN2 859/4885CA12 4514/4885CA1 2040/4885

“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.