SCHEMBL3046579

SCHEMBL3046579

O=C1CCC2CCCCC2N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SRD5A1 P18405 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
OPRK1 P41145 1/20 0.33
MAPT P10636 1/20 0.32
PARP1 P09874 1/20 0.31
MAPK1 P28482 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
SCHEMBL5567030 1.00 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL6638258 1.00 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL8465326 1.00 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL9733418 0.98 MAPT (0.35) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL9733421 0.98 MAPT (0.35) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL9359669 0.95 SRD5A1 (0.33) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL6675762 0.95 SRD5A1 (0.33) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL26673240 0.93 SRD5A1 (0.38) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL18150856 0.91 SRD5A1 (0.37) ALDH1A1PKMLMNATSHRSRD5A1
SCHEMBL17338063 0.91 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHRSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338861-A Cleaving lactam N-carboxylate or lactim O-carboxylate with elimination of carbon dioxide by heating in gas or liquid phase BAYER AKTIENGESELLSCHAFT (DE) 1994-08-16 US claimed
CN-118324695-A Method for selectively preparing quinoline-2-ketone or 3, 4-dihydro-quinoline-2-ketone compound under regulation of photocatalyst 浙江工业大学 2024-07-12 CN disclosed
WO-2022237849-A1 NMDA RECEPTOR ANTAGONIST AND USE THEREOF 中国科学院上海有机化学研究所 2022-11-17 WO disclosed
US-9758788-B2 Mutagenesis of plants for overproduction of selective estrogen receptor modulators Naprogenix, Inc. (US) 2017-09-12 US disclosed
US-9630935-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2017-04-25 US disclosed
US-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2016-09-29 US disclosed
US-20160040176-A1 TARGET-DIRECTED BIOSYNTHESIS OF PLANT METABOLITES Naprogenix, Inc. 2016-02-11 US disclosed
EP-1692157-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2013-04-17 EP disclosed
US-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
EP-2468744-A2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-27 EP disclosed
EP-0170775-B1 DERIVATIVES OF BICYCLIC AMINO ACIDS, PROCESSES FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE AS WELL AS BICYCLIC AMINO ACIDS AS INTERMEDIATES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-08 EP disclosed
US-4778894-A TRANS-OCTAHYDROPYRAZOLOQUINOLINES; INTERMEDIATES FOR HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1988-10-18 US disclosed
US-4778894-A TRANS-OCTAHYDROPYRAZOLOQUINOLINES; INTERMEDIATES FOR HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1988-10-18 US disclosed
US-4719203-A CALCIUM METABOLISM DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1988-01-12 US disclosed
US-4596871-A Tautomeric mixtures ELI LILLY AND COMPANY (US) 1986-06-24 US disclosed
EP-0170775-A1 Derivatives of bicyclic amino acids, processes for their preparation, agents containing them and their use as well as bicyclic amino acids as intermediates and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-12 EP disclosed
EP-0145121-A2 Pyrazoloquinolines, process for their preparation, and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1985-06-19 EP disclosed
EP-0112604-A1 Novel resolved keto compounds and process ELI LILLY AND COMPANY (US) 1984-07-04 EP disclosed
EP-0084164-A2 Derivatives of bicyclic amino acids, process for their preparation, agents containing them and their use, as well as bicyclic amino acids as intermediates, and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-27 EP disclosed
US-3972890-A ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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 (1 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-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS TGFB1, REN, TGFB2 ALDH1A1 1172/4885PKM 2438/4885LMNA 701/4885

“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.