SCHEMBL3534892

SCHEMBL3534892

COC(=O)[C@H]1CC(O)CN1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
DPP4 P27487 4/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
SMYD3 Q9H7B4 1/20 0.38
KMT2A Q03164 1/20 0.35
CHEK2 O96017 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL1439294 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL699327 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3547377 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL729546 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3542501 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1303905 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL788022 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL589711 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL833267 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3862327 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102250014-B Method for preparing chiral 1-benzyloxycarbonyl hexahydropyridazine-3-carboxylic acid and chiral 1, 2-dibenzyloxycarbonyl hexahydropyridazine-3-carboxylic acid SHANGHAI AOBO BIO PHARMACEUTICAL TECH CO LTD 2013-11-13 CN claimed
CN-102250014-A Method for preparing chiral 1-benzyloxycarbonyl hexahydropyridazine-3-carboxylic acid and chiral 1, 2-dibenzyloxycarbonyl hexahydropyridazine-3-carboxylic acid SHANGHAI AOBO BIO PHARMACEUTICAL TECH CO LTD 2011-11-23 CN claimed
WO-2024119277-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-06-13 WO disclosed
CN-114507243-B Isothiazolo heterocyclic compounds, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-05-14 CN disclosed
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 CN disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
CN-116744933-A Methods for preparing bisheteroaryl compounds and crystalline forms thereof 基因泰克公司 2023-09-12 CN disclosed
US-10906033-B2 Synthesis and application of chiral substituted polyvinylpyrrolidinones KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-02-02 US disclosed
US-20200306737-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2020-10-01 US disclosed
CN-105793242-B Phenoxyethyl cyclic amine derivatives and their activity as EP4 receptor modulators 伊莱利利公司 2018-02-16 CN disclosed
EP-2558445-B1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-22 EP disclosed
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP disclosed
CN-1232451-A Substd. cyclic amine metalloprotease inhibitors PROCTER & GAMBLE (US) 1999-10-20 CN disclosed
US-5482921-A HERBICIDES SANDOZ LTD. (CH) 1996-01-09 US disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed
EP-0493323-A1 Novel hydantoin compounds SANDOZ LTD. (CH) 1992-07-01 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 (2 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-20200306737-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES POLRMT, CNBP, DHPS CHRNB2 2526/4885CHRNA4 1977/4885CHRNB4 2217/4885
US-10906033-B2 Synthesis and application of chiral substituted polyvinylpyrrolidinones POLRMT, CNBP, DHPS CHRNB2 2526/4885CHRNA4 1977/4885CHRNB4 2217/4885

“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.