SCHEMBL10121263

SCHEMBL10121263

CC(C)Cc1cccc(N(C)C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
PNMT P11086 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
CETP P11597 1/20 0.37
TAAR1 Q96RJ0 4/20 0.36
SLC6A2 P23975 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
AOC3 Q16853 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
SCHEMBL13154972 0.85 ALDH1A1 (0.45) GABRA1GABRB2PNMTSIGMAR1CETP
SCHEMBL10150944 0.83 SIGMAR1 (0.46) SIGMAR1
SCHEMBL22388176 0.82 OPRM1 (0.46) SIGMAR1TAAR1AOC3
SCHEMBL15014089 0.81 S1PR1 (0.44) SIGMAR1
SCHEMBL26518792 0.80 SLC6A4 (0.37) GABRA1GABRB2PNMTSIGMAR1CETP
SCHEMBL26791146 0.80 GABRA1 (0.37) GABRA1GABRB2PNMTSIGMAR1CETP
SCHEMBL22388180 0.79 IGLV6-57 (0.38) GABRA1GABRB2PNMTSIGMAR1CETP
SCHEMBL19135765 0.78 SIGMAR1 (0.44) GABRA1GABRB2PNMTSIGMAR1CETP
SCHEMBL22388305 0.77 TAAR1 (0.38) SIGMAR1TAAR1AOC3
SCHEMBL19009082 0.77 SIGMAR1 (0.41) SIGMAR1SLC6A2SLC6A4SLC6A3AOC3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-20220073538-A1 Immunoproteasome Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-03-10 US disclosed
US-11225493-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-01-18 US disclosed
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2020-09-03 US disclosed
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-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-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
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 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 (12 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 GABRA1 2591/4885GABRB2 1862/4885PNMT 2928/4885
US-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 GABRA1 2892/4885GABRB2 2957/4885PNMT 4300/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 GABRA1 2591/4885GABRB2 1862/4885PNMT 2928/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GABRA1 4547/4885GABRB2 4292/4885PNMT 2951/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 GABRA1 2591/4885GABRB2 1862/4885PNMT 2928/4885
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 GABRA1 2892/4885GABRB2 2957/4885PNMT 4300/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L GABRA1 2151/4885GABRB2 1707/4885PNMT 2166/4885
US-11225493-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 GABRA1 2892/4885GABRB2 2957/4885PNMT 4300/4885
US-20220073538-A1 Immunoproteasome Inhibitors PSMC2, PSMB7, PSMB2 GABRA1 2892/4885GABRB2 2957/4885PNMT 4300/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 GABRA1 2591/4885GABRB2 1862/4885PNMT 2928/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 GABRA1 2591/4885GABRB2 1862/4885PNMT 2928/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L GABRA1 2151/4885GABRB2 1707/4885PNMT 2166/4885

“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.