SCHEMBL182091

SCHEMBL182091

CC(C)c1ccc(C(=O)CBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.61
GSK3B P49841 9/20 0.61
PTPN1 P18031 6/20 0.57
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MPI P34949 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1368128 0.86 GSK3B (0.59) USP5GSK3BPTPN1POLBL3MBTL1
SCHEMBL30089581 0.83 USP5 (0.85) USP5POLBCYP2C9L3MBTL1RAB9A
SCHEMBL269939 0.83 USP5 (0.66) USP5POLBCYP2C9L3MBTL1RAB9A
SCHEMBL11744550 0.82 GSK3B (0.55) USP5GSK3BPTPN1RAB9ANPC1
SCHEMBL205280 0.82 GSK3B (0.80) GSK3BPTPN1RAB9ANPC1
SCHEMBL11290691 0.81 USP5 (0.64) USP5POLBCYP2C9L3MBTL1RAB9A
SCHEMBL11796064 0.81 USP5 (0.63) USP5POLBCYP2C9L3MBTL1RAB9A
SCHEMBL3404341 0.81 USP5 (0.63) USP5POLBCYP2C9L3MBTL1RAB9A
SCHEMBL20221599 0.80 ESR1 (0.55) USP5GSK3BPTPN1CYP2C9
SCHEMBL17873488 0.79 PTPN1 (0.61) USP5GSK3BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154175-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2025-05-15 US disclosed
EP-3487856-B1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AG (DE) 2025-01-22 EP disclosed
US-12180227-B2 Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders BAYER AKTIENGESELLSCHAFT (DE) 2024-12-31 US disclosed
CN-115554300-B Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2024-10-29 CN disclosed
US-20240150338-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-05-09 US disclosed
EP-3638675-B1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AG (DE) 2024-04-17 EP disclosed
CN-117355300-A Compounds and their use for the treatment of neurodegenerative, degenerative and metabolic diseases 佛罗里达大学研究基金会公司 2024-01-05 CN disclosed
EP-4277623-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-11-22 EP disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO disclosed
US-6545009-B1 Imidazole, oxazole and thiazole derivatives for regulation of peroxisome proliferator-activated receptor function; improving insulin resistance, treating impaired glucose tolerance and obesity, enhancing insulin sensitivity, etc. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-08 US disclosed
CN-1314899-A Retinoid-associated receptor regulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-09-26 CN disclosed
EP-1092711-A1 RETINOID-ASSOCIATED RECEPTOR REGULATORS Takeda Chemical Industries, Ltd. (JP) 2001-04-18 EP disclosed
EP-0016277-B1 2-CARBONYL-3-HYDROXY-ALKENONITRILES, THEIR USE AS ANTI-ARTHRITIC AGENTS AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1981-12-02 EP disclosed
EP-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed
WO-1980000964-A1 ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES AMERICAN CYANAMID CO (US) 1980-05-15 WO disclosed
US-4173650-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1979-11-06 US disclosed
US-4033978-A Thiacycl[2.2.2]azine carboxylic acids SYNTEX (U.S.A.) INC. (US) 1977-07-05 US disclosed
US-3968121-A 1,2-Diphenyl-4,5,6,7-tetrahydroindoles STERLING DRUG INC. (US) 1976-07-06 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 (4 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 USP5 2517/4885GSK3B 770/4885PTPN1 2829/4885
US-12180227-B2 Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders HIF1AN, QDPR, DHPS USP5 2846/4885GSK3B 4385/4885PTPN1 2067/4885
US-20240150338-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS OAT, NLN, ABAT USP5 3180/4885GSK3B 1033/4885PTPN1 4111/4885
US-20250154175-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS HIF1AN, QDPR, HNMT USP5 2348/4885GSK3B 4414/4885PTPN1 1772/4885

“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.