SCHEMBL988752

SCHEMBL988752

COC(=O)[C@H]1CC[C@H](C(C)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL988753 1.00 TP53 (0.48) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
Nitrogen SCHEMBL28738062 0.95 TP53 (0.46) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL74396 0.89 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2200767 0.89 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL244740 0.89
SCHEMBL2948892 0.89 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL6271997 0.87
SCHEMBL8610883 0.87 TP53 (0.54) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
Methyl Alcohol SCHEMBL27845135 0.87 TP53 (0.54) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL15746423 0.86 CHRNB2 (0.45) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285459-B Preparation method of small molecule kinase inhibitor compound 上海美迪西生物医药股份有限公司 2024-02-27 CN claimed
CN-117285459-A Preparation method of small molecule kinase inhibitor compound 上海美迪西生物医药股份有限公司 2023-12-26 CN claimed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
CN-117285459-B Preparation method of small molecule kinase inhibitor compound 上海美迪西生物医药股份有限公司 2024-02-27 CN disclosed
CN-117285459-A Preparation method of small molecule kinase inhibitor compound 上海美迪西生物医药股份有限公司 2023-12-26 CN disclosed
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-20230117572-A1 SMALL MOLECULE INHIBITORS OF ULK1 MEMORIAL SLOAN KETTERING CANCER CENTER 2023-04-20 US disclosed
JP-2022108829-A METHOD FOR PRODUCING (+)-TRANS-4-(1-AMINOETHYL)-1-(4-PYRIDYLCARBAMOYL)CYCLOHEXANE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDUCT THEREOF AND PRODUCTION INTERMADIATE THEREOF 大内新興化学工業株式会社 2022-07-27 JP disclosed
EP-2706852-B1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-22 EP disclosed
EP-2863915-B1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
EP-2884982-B1 SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 WO disclosed
US-20120108812-A1 PROCESS FOR SUBSTITUTED 3-AMINO-5-OXO-4,5-DIHYDRO-[1,2,4]TRIAZINES OSI PHARMACEUTICALS ,INC. 2012-05-03 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 US disclosed
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 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 (6 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B TP53 4167/4885SMN1; SMN2 1248/4885CHRNB2 164/4885
US-20230117572-A1 SMALL MOLECULE INHIBITORS OF ULK1 ULK1, ULK2, ULK3 TP53 57/4885SMN1; SMN2 3952/4885CHRNB2 4688/4885
US-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 TP53 4562/4885SMN1; SMN2 4639/4885CHRNB2 3904/4885
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES MLLT1, BMI1, MEN1 TP53 107/4885SMN1; SMN2 804/4885CHRNB2 4799/4885
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR TP53 4249/4885SMN1; SMN2 4150/4885CHRNB2 296/4885
US-20120108812-A1 PROCESS FOR SUBSTITUTED 3-AMINO-5-OXO-4,5-DIHYDRO-[1,2,4]TRIAZINES ALKBH5, NT5C, CYP4Z1 TP53 3736/4885SMN1; SMN2 3532/4885CHRNB2 3462/4885

“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.