SCHEMBL1934253

SCHEMBL1934253

CN(C)CCN(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAPT P10636 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4A O75164 12/20 0.33
KDM4C Q9H3R0 12/20 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
SCHEMBL3763074 0.91 NPC1 (0.36) CA12CA9CHRM2ALDH1A1TSHR
Formic Acid SCHEMBL27230851 0.90 CA12 (0.33) CA12CA2CA3CA4CA6
SCHEMBL1934062 0.83 ALDH1A1 (0.43) KDM4AKDM4CALDH1A1TSHRKDM5A
SCHEMBL9702710 0.83 CA12 (0.36) CA12CA2CA3CA4CA6
SCHEMBL25330808 0.81 ALDH1A1 (0.55) KDM4AKDM4CALDH1A1TSHRKDM5A
Hydrochloric Acid SCHEMBL9701593 0.81 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL20756157 0.80 CHRM1 (0.41) CA12CA9MAPTCHRM2CHRM4
SCHEMBL21111523 0.80
SCHEMBL21815374 0.79 NOS3 (0.38) KDM4AKDM4CALDH1A1TSHRKDM5A
SCHEMBL28903229 0.79 NOS3 (0.38) CA12CA9ALDH1A1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462594-A Pradienolide compound and application thereof 卫材R&D管理有限公司 2025-02-18 CN claimed
US-9707202-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2017-07-18 US claimed
US-20160303066-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2016-10-20 US claimed
US-9328081-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2016-05-03 US claimed
US-20150072984-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-03-12 US claimed
US-8614211-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2013-12-24 US claimed
WO-2013033250-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-03-07 WO claimed
US-20130040945-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2013-02-14 US claimed
WO-2013023145-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-02-14 WO claimed
EP-1126846-B1 Use of a nicotine receptor agonist for the manufacture of a medicament for the treatment of obsessive compulsive disorder CARLSSON A RESEARCH AB (SE) 2003-08-06 EP claimed
CN-1139427-A Malarial aspartic protease inhibitors SEARLE & CO (US) 1997-01-01 CN claimed
US-5227401-A ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-07-13 US claimed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
CN-119462594-A Pradienolide compound and application thereof 卫材R&D管理有限公司 2025-02-18 CN disclosed
EP-4365175-A1 NOVEL BENZOPYRAN DERIVATIVE AND USE THEREOF Spark Biopharma, Inc. (KR) 2024-05-08 EP disclosed
US-20230137764-A1 PRODRUGS OF FULVESTRANT ACQUIOM AGENCY SERVICES, AS COLLATERAL AGENT 2023-05-04 US disclosed
WO-1993009108-A1 AMINO ACYL AMINO PROPARGYL DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1993-05-13 WO disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed
US-4966916-A DI-AND TRIMETHYLAMINOETHYL BENZOATES, PHENYLCARBAMATES AND PHENYLTHIOCARBAMATES UNIVERSITY OF ROCHESTER 1990-10-30 US disclosed
US-4835162-A 3-QUINUCLIDINYL BENZOATE OR METHYL CARBAMATE UNIVERSITY OF ROCHESTER 1989-05-30 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-20230137764-A1 PRODRUGS OF FULVESTRANT CYP19A1, PGR, ESR1 CA12 2237/4885CA2 3502/4885CA3 1726/4885
US-20150072984-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS VHL, SDHA, TP53 CA12 413/4885CA2 1030/4885CA3 3215/4885
US-20130040945-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RXRG, ARNT, RARS2 CA12 986/4885CA2 2121/4885CA3 2298/4885
US-20160303066-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS VHL, SDHA, TP53 CA12 413/4885CA2 1030/4885CA3 3215/4885

“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.