SCHEMBL2603209

SCHEMBL2603209

CC(C)C1CCCC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.33
CTSD P07339 4/20 0.33
AR P10275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BACE1 P56817 1/20 0.32
OR51E2 Q9H255 1/20 0.31
ALOX5 P09917 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
FKBP5 Q13451 1/20 0.30

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
SCHEMBL5197876 0.94 ALDH1A1 (0.39) CRBNCTSDARALDH1A1CASP1
SCHEMBL367375 0.86
SCHEMBL367376 0.86
SCHEMBL14749809 0.86
SCHEMBL8090216 0.78
SCHEMBL11233543 0.78 CRBN (0.33) CRBNOR51E2FKBP5
SCHEMBL5991463 0.76
SCHEMBL13438779 0.76
SCHEMBL7624743 0.75 ALDH1A1 (0.40) CTSDALDH1A1CASP1HSD17B10BACE1
SCHEMBL9666729 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234984-A1 CYSTEINE PROTEASE INHIBITORS AND METHODS OF USE THEREOF ANIXA BIOSCIENCES, INC. 2023-07-27 US disclosed
US-20230234984-A1 CYSTEINE PROTEASE INHIBITORS AND METHODS OF USE THEREOF ANIXA BIOSCIENCES, INC. 2023-07-27 US disclosed
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3228619-B1 PROCESS FOR THE PREPARATION OF APIXABAN ZAKL FARMACEUTYCZNE POLPHARMA SA (PL) 2020-07-29 EP disclosed
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-21 US disclosed
US-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US disclosed
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2017-01-26 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 US disclosed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 US disclosed
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-09-18 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
EP-1934179-B1 PROCESSES AND INTERMEDIATES VERTEX PHARMA (US) 2010-04-07 EP disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20080249028-A1 Thyrotropin-Releasing Hormone Analogs and Method of Use ROGER WILLIAMS HOSPITAL (US) 2008-10-09 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-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 CRBN 2473/4885CTSD 996/4885AR 3077/4885
US-20230234984-A1 CYSTEINE PROTEASE INHIBITORS AND METHODS OF USE THEREOF SERPINB1, PREP, HPN CRBN 753/4885CTSD 39/4885AR 4573/4885
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 CRBN 2721/4885CTSD 2843/4885AR 780/4885
US-20080249028-A1 Thyrotropin-Releasing Hormone Analogs and Method of Use TRHR, IAPP, TRHDE CRBN 4026/4885CTSD 1269/4885AR 3019/4885
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CRBN 1849/4885CTSD 2350/4885AR 3976/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 CRBN 2473/4885CTSD 996/4885AR 3077/4885
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 CRBN 3895/4885CTSD 4486/4885AR 1270/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CRBN 1849/4885CTSD 2350/4885AR 3976/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 CRBN 3925/4885CTSD 2953/4885AR 566/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 CRBN 2473/4885CTSD 996/4885AR 3077/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 CRBN 2473/4885CTSD 996/4885AR 3077/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL CRBN 1849/4885CTSD 2350/4885AR 3976/4885

“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.