SCHEMBL18782862

SCHEMBL18782862

COC(=O)N[C@H](c1ccccc1Cl)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
HIF1A Q16665 1/20 0.42
BLM P54132 1/20 0.41
OPRM1 P35372 4/20 0.39
OPRL1 P41146 3/20 0.39
HTT P42858 1/20 0.39
CTSA P10619 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL18782924 0.85 PRSS1 (0.42) PRSS1CTSGCTRB1CMA1ADRB2
SCHEMBL8906727 0.79 ALDH1A1 (0.41) PRSS1CTSGCTRB1CMA1ADRB2
SCHEMBL15867479 0.79 ROCK2 (0.46) ADRB2ADRB1OPRM1OPRL1HTT
SCHEMBL14864791 0.79 ROCK2 (0.46) ADRB2ADRB1OPRM1OPRL1HTT
SCHEMBL15045485 0.77 HTT (0.54) PRSS1CTSGCTRB1CMA1CYP2D6
SCHEMBL13132826 0.77 HTT (0.54) PRSS1CTSGCTRB1CMA1CYP2D6
SCHEMBL18526783 0.76 OPRM1 (0.43) CYP2D6OPRM1OPRL1CTSAALDH1A1
SCHEMBL12174900 0.76 CYP2C19 (0.41) ADRB2ADRB1CYP2D6OPRM1OPRL1
SCHEMBL305752 0.76 OPRM1 (0.43) CYP2D6OPRM1OPRL1CTSAALDH1A1
SCHEMBL1996394 0.75 OPRM1 (0.39) PRSS1CTSGCTRB1CMA1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 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 (3 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 PRSS1 2325/4885CTSG 1122/4885CTRB1 1254/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L PRSS1 2704/4885CTSG 1070/4885CTRB1 1414/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L PRSS1 2704/4885CTSG 1070/4885CTRB1 1414/4885

“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.