SCHEMBL18782876

SCHEMBL18782876

CCC(C)C#CCOC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 3/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
HTR1A P08908 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA7 P36544 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL18783004 0.82 ALOX15 (0.41) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3654276 0.75 ALOX15 (0.37) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15066794 0.73
SCHEMBL16762632 0.72 ALOX15 (0.34) ALOX15LMNATSHRCHRM2CHRM4
SCHEMBL14375998 0.70
SCHEMBL13752390 0.70
SCHEMBL23663503 0.69 ALOX15 (0.46) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17274554 0.69
SCHEMBL10386154 0.68 CHRNB2 (0.38) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15669207 0.67 FFAR3 (0.33)

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-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 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 (2 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALOX15 3188/4885CHRNB2 4878/4885CHRNA4 4796/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALOX15 2840/4885CHRNB2 4880/4885CHRNA4 4777/4885

“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.