SCHEMBL154367

SCHEMBL154367

CCC(=O)NCCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.73
MTNR1B P49286 1/20 0.73
HDAC3 O15379 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
NCOR2 Q9Y618 3/20 0.60
HDAC4 P56524 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
CA12 O43570 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
HPGD P15428 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
EPHX1 P07099 1/20 0.58
HDAC7 Q8WUI4 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
Benzene SCHEMBL29176463 1.00 MTNR1A (0.73) MTNR1AMTNR1BHDAC3HDAC1HDAC2
Toluene SCHEMBL10975240 0.93 MTNR1A (0.66) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL15550290 0.90 HDAC3 (0.72) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL30259923 0.90 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL7598872 0.89 L3MBTL1 (0.74) MTNR1AMTNR1BHPGDL3MBTL1ALDH1A1
Phenol SCHEMBL27937340 0.88 KDM4E (0.60) MTNR1AMTNR1BPLAAT5PLAAT4
SCHEMBL3919664 0.87 TRPV1 (0.71) MTNR1AMTNR1BHPGDL3MBTL1ALDH1A1
SCHEMBL31035861 0.86 TRPV1 (0.73) HPGDL3MBTL1ALDH1A1
SCHEMBL31035980 0.86 TRPV1 (0.73) HPGDL3MBTL1ALDH1A1
SCHEMBL31036003 0.86 TRPV1 (0.73) HPGDL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187176-B Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2022-11-25 CN claimed
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 WO claimed
CN-111187176-A Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2020-05-22 CN claimed
CN-107922401-A For treating 4 hydroxyl 3 (heteroaryl) pyridine, the 2 ketone APJ activators of cardiovascular disorder 百时美施贵宝公司 2018-04-17 CN claimed
CN-106518808-A 3-(N, N-disubstituted amino) propanamide derivative and preparation method and use thereof in medicine 沈阳药科大学 2017-03-22 CN claimed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
EP-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP claimed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO claimed
EP-1244653-A1 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2002-10-02 EP claimed
WO-2001046176-A2 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-06-28 WO claimed
EP-4384519-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION Albert-Ludwigs-Universität Freiburg (DE) 2024-06-19 EP disclosed
CN-114031477-B Method for reducing amide compounds into amine compounds by cobalt catalysis 浙江工业大学 2023-12-05 CN disclosed
CN-117046488-A Catalyst for preparing amide compounds, preparation method and application 北京化工大学 2023-11-14 CN disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
CN-116688996-A Catalyst for preparing amide compounds, preparation method and application 北京化工大学 2023-09-05 CN disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 WO disclosed
CN-1070641-A Quinoxalinyl oxygen ether with the mutual resistance weeding of relevant application DU PONT (US) 1993-04-07 CN disclosed
US-4855498-A Coordination complexes of platinum with amides UNIVERSITY OF DELAWARE (US) 1989-08-08 US disclosed
US-4772735-A POTASSIUM TETRACHLOROPLATINATE, ANTIHISTAMINE DIPHENHYDRAMINE HYDROCHLORIDE UNIVERSITY OF DELAWARE (US) 1988-09-20 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 MTNR1A 1704/4885MTNR1B 1599/4885HDAC3 466/4885

“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.