SCHEMBL254889

SCHEMBL254889

COC(=O)C1CCC(C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL1467609 1.00 TP53 (0.44) TP53ROCK2ROCK1SMN1; SMN2CHRNB2
SCHEMBL9237133 1.00 TP53 (0.44) TP53ROCK2ROCK1SMN1; SMN2CHRNB2
SCHEMBL24483394 0.88 CHRNB2 (0.41) TP53ROCK2ROCK1SMN1; SMN2CHRNB2
SCHEMBL17803098 0.85 TP53 (0.43) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL17802882 0.85 TP53 (0.43) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL20855485 0.83 ROCK2 (0.46) TP53ROCK2ROCK1SMN1; SMN2CHRNB2
SCHEMBL244740 0.83
SCHEMBL23611949 0.83 ROCK2 (0.46) TP53ROCK2ROCK1SMN1; SMN2CHRNB2
SCHEMBL2948892 0.83 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL12583676 0.83 ROCK2 (0.46) TP53ROCK2ROCK1SMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH INC (US) 2023-09-21 US disclosed
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH INC (US) 2023-09-21 US disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2022115879-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH, INC. (US) 2022-06-02 WO disclosed
CN-111217695-A Method for continuously synthesizing cyclohexanecarboxylic acid 内蒙古世杰化工有限公司 2020-06-02 CN disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 US disclosed
US-9944625-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-17 US disclosed
US-9676763-B2 Method of treating Ebola PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-13 US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 US disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
EP-0814073-B1 Epimerization of 2- or 4-substituted cyclohexanecarboxylic acids KATAYAMA SEISAKUSHO (JP) 2001-09-12 EP disclosed
US-5831118-A HEATING WITH POTASSIUM HYDROXIDE; ONE STEP KATAYAMA SEIYAKUSYO CO., LTD. (JP) 1998-11-03 US disclosed
EP-0814073-A1 Epimerization of 2- or 4-substituted cyclohexanecarboxylic acids KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1997-12-29 EP disclosed
US-RE34878-E Hypoglycemic agent AJINOMOTO CO., INC. (JP) 1995-03-14 US disclosed
EP-0196222-B1 HYPOGLYCEMIC AGENT AJINOMOTO CO., INC. (JP) 1992-01-29 EP disclosed
US-4816484-A D-PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 1989-03-28 US disclosed
EP-0196222-A2 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 1986-10-01 EP 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 (5 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A TP53 3139/4885ROCK2 1606/4885ROCK1 1069/4885
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE DPYD, TP53, GLS TP53 2/4885ROCK2 1126/4885ROCK1 1313/4885
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 TP53 2273/4885ROCK2 2977/4885ROCK1 3380/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS TP53 3571/4885ROCK2 1724/4885ROCK1 948/4885
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN TP53 495/4885ROCK2 4334/4885ROCK1 4179/4885

“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.