SCHEMBL476790

SCHEMBL476790

COC(=O)CC(N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KCNA5 P22460 3/20 0.50
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL1144412 1.00 ALDH1A1 (0.51) ALDH1A1KCNA5KMT2ATSHRCYP3A4
SCHEMBL167043 1.00 ALDH1A1 (0.51) ALDH1A1KCNA5KMT2ATSHRCYP3A4
Hydrochloric Acid SCHEMBL6373800 0.98 ALDH1A1 (0.50) ALDH1A1KCNA5KMT2ATSHRCYP3A4
Hydrochloric Acid SCHEMBL2203097 0.98 ALDH1A1 (0.50) ALDH1A1KCNA5KMT2ATSHRCYP3A4
Hydrochloric Acid SCHEMBL476789 0.98 ALDH1A1 (0.50) ALDH1A1KCNA5KMT2ATSHRCYP3A4
SCHEMBL4591411 0.93 KCNA5 (0.49) ALDH1A1KCNA5KMT2ATSHRCYP3A4
SCHEMBL1144253 0.93 KCNA5 (0.49) ALDH1A1KCNA5KMT2ATSHRCYP3A4
Tartaric Acid SCHEMBL29904324 0.92 ALDH1A1 (0.46) ALDH1A1KCNA5KMT2ATSHRCYP3A4
SCHEMBL2299744 0.90 PTGS2 (0.46) ALDH1A1KCNA5KMT2ACYP3A4
SCHEMBL27575989 0.88 KMT2A (0.44) ALDH1A1KCNA5KMT2ATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106883133-A A kind of preparation method of dapoxetine hydrochloride 南京斯贝源医药科技有限公司 2017-06-23 CN claimed
EP-2088152-B1 N'-{N-[3-OXO-LUPEN-28-OYL]-9-AMINONONANOYL}-3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT INST NEFTEKHIMII I KATALIZA ROSSIISKOI AKADEMII NAUK (RU) 2012-02-01 EP claimed
US-20100087539-A1 N'--3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT INSTITUT NEFTEKHIMII I KATALIZA ROSSIISKOI AKADEMII NAUK (RU) 2010-04-08 US claimed
EP-2088152-A1 N'-{N-[3-OXO-LUPEN-28-OYL]-9-AMINONONANOYL}-3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT Institut Neftekhimii I Kataliza Rossiiskoi Akademii Nauk (RU) 2009-08-12 EP claimed
CN-120192280-A Synthesis of amino acid derivatives containing 1,3, 4-oxadiazole thioether and application of amino acid derivatives in resisting plant bacterial diseases 贵州大学 2025-06-24 CN disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
CN-113880721-B Synthesis method of dapoxetine 湖南九典制药股份有限公司 2024-05-28 CN disclosed
EP-4313051-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS Virginia Commonwealth University (US) 2024-02-07 EP disclosed
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
WO-2022212471-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-10-06 WO disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
EP-0355819-B1 Substituted aryl ureas as high potency sweeteners NUTRASWEET CO (US) 1994-01-05 EP disclosed
US-5136050-A Process for resolving amino acids using substituted lactones ROUSSEL UCLAF (FR) 1992-08-04 US disclosed
CN-1043125-A Be used as the aryl urea of the replacement of high-potency sweetener NUTRASWEET CO (US) 1990-06-20 CN disclosed
WO-1990002112-A1 SUBSTITUTED ARYL UREAS AS HIGH POTENCY SWEETENERS THE NUTRASWEET COMPANY (US) 1990-03-08 WO disclosed
EP-0355819-A1 Substituted aryl ureas as high potency sweeteners THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1990-02-28 EP disclosed
US-4513139-A Substituted lactones of amino acids ROUSSEL UCLAF (FR) 1985-04-23 US disclosed
US-4350637-A STEREOISOMERS, RESOLUTION ROUSSEL UCLAF (FR) 1982-09-21 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 (3 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-20230312466-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 ALDH1A1 516/4885KCNA5 2461/4885KMT2A 4450/4885
US-20100087539-A1 N'--3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT GART, DNPEP, IL4I1 ALDH1A1 487/4885KCNA5 4016/4885KMT2A 4370/4885
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 ALDH1A1 3596/4885KCNA5 2689/4885KMT2A 3025/4885

“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.