SCHEMBL18409206

SCHEMBL18409206

CC(C)NC(=O)C1(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.48
ALDH1A1 P00352 1/20 0.40
ACACB O00763 2/20 0.39
CETP P11597 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MME P08473 1/20 0.36
P2RX7 Q99572 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL19000021 0.93 FFAR3 (0.40) FFAR3ALDH1A1ACACBCETPMEN1
SCHEMBL25221272 0.85 CYP1A2 (0.49) FFAR3ALDH1A1ACACBCETPMEN1
SCHEMBL18390106 0.83 CYP1A2 (0.37) FFAR3ALDH1A1CETPMEN1KMT2A
Hydrochloric Acid SCHEMBL25218542 0.83 CYP1A2 (0.47) FFAR3ALDH1A1ACACBCETPMEN1
SCHEMBL20381997 0.82 CYP1A2 (0.36) FFAR3ALDH1A1ACACBCETPMEN1
SCHEMBL20148015 0.82 MMP9 (0.36) FFAR3ALDH1A1MMP1MMP2MMP9
SCHEMBL24568143 0.81 FFAR3 (0.39) FFAR3ACACBCETPMMEP2RX7
SCHEMBL24571826 0.81 FFAR3 (0.39) FFAR3ACACBCETPMMEP2RX7
SCHEMBL3004519 0.79 ALDH1A1 (0.33) FFAR3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL24567530 0.79 RAB9A (0.36) ALDH1A1CA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
WO-2021078023-A1 SMALL MOLECULE COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 WO disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2020-07-09 US disclosed
US-10647707-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CAPELLA THERAPEUTICS, INC. (US) 2020-03-17 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 US disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 WO disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. (US) 2017-06-29 US disclosed
US-20170022206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT AND PDFGR BLUEPRINT MEDICINES CORPORATION 2017-01-26 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 (10 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN FFAR3 4450/4885ALDH1A1 1247/4885ACACB 2851/4885
US-20170022206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT AND PDFGR KIT, PDGFRA, PDGFRB FFAR3 2207/4885ALDH1A1 2167/4885ACACB 1334/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN FFAR3 4422/4885ALDH1A1 1705/4885ACACB 3681/4885
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CCNI, CYP2C19, PHB1 FFAR3 3435/4885ALDH1A1 89/4885ACACB 333/4885
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK FFAR3 2580/4885ALDH1A1 819/4885ACACB 128/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B FFAR3 3179/4885ALDH1A1 1228/4885ACACB 378/4885
US-10647707-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 FFAR3 2240/4885ALDH1A1 1250/4885ACACB 1059/4885
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 FFAR3 2240/4885ALDH1A1 1250/4885ACACB 1059/4885
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CHKB, CHKA, CHUK FFAR3 2580/4885ALDH1A1 819/4885ACACB 128/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B FFAR3 3161/4885ALDH1A1 1149/4885ACACB 368/4885

“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.