SCHEMBL10125347

SCHEMBL10125347

CCNC(=O)N[C@H](c1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
HDAC1 Q13547 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.50
CASR P41180 1/20 0.49
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX2 P34913 4/20 0.46
PKM P14618 1/20 0.45
MEN1 O00255 2/20 0.45
PRCP P42785 1/20 0.43
TACR2 P21452 1/20 0.43
TACR3 P29371 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10154589 0.83 CASR (0.69) OPRM1ALDH1A1KMT2ACASRPOLB
SCHEMBL13480537 0.81 NPSR1 (0.58) ALDH1A1KMT2ACASRPOLBEPHX2
SCHEMBL11924819 0.79 OPRM1 (0.55) OPRM1KMT2ACASRPOLBCYP3A4
SCHEMBL8907982 0.79 OPRM1 (0.55) OPRM1KMT2ACASRPOLBCYP3A4
SCHEMBL11214430 0.78 HDAC1 (0.62) OPRM1HDAC1ALDH1A1KMT2APOLB
SCHEMBL8923076 0.78 EPHX2 (0.67) ALDH1A1EPHX2TACR2TACR3HSD17B10
SCHEMBL753128 0.78 NAALAD2 (0.59) ALDH1A1KMT2ACASRPKMMEN1
SCHEMBL890069 0.78 CASR (0.47) KMT2ACASREPHX2PKMMEN1
SCHEMBL185646 0.77 HDAC1 (0.60) HDAC1ALDH1A1KMT2APOLBPRCP
SCHEMBL8295706 0.77 HDAC1 (0.53) OPRM1HDAC1ALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO 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-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 OPRM1 2146/4885HDAC1 30/4885ALDH1A1 201/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 OPRM1 1999/4885HDAC1 168/4885ALDH1A1 250/4885

“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.