SCHEMBL4084632

SCHEMBL4084632

NCCc1ccc(O)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
HTR2C P28335 5/20 0.44
HTR1A P08908 5/20 0.44
TAAR1 Q96RJ0 3/20 0.44
HTR1D P28221 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
HTR3A P46098 2/20 0.44
DRD1 P21728 2/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
HTR1B P28222 2/20 0.44
HTR7 P34969 2/20 0.44
HTR5A P47898 2/20 0.44
HTR6 P50406 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL32665617 0.85 CA12 (0.41) CHRNA7TSHRMAPTTYRKDM4E
SCHEMBL16516247 0.79 CA12 (0.40) CHRNA7TSHRMAPTTYRKDM4E
SCHEMBL1046128 0.77 BACE1 (0.50) HTR2CHTR1ATAAR1HTR1DHTR2A
SCHEMBL3655100 0.76 ESR1 (0.42) CHRNA7ALDH1A1BLM
SCHEMBL6801484 0.76 LCK (0.35) CHRNA7TYR
SCHEMBL5090081 0.75 LCK (0.40) CHRNA7MAPTTYRKDM4EALDH1A1
SCHEMBL4393973 0.75 TAAR1 (0.52) HTR2CHTR1ATAAR1HTR1DHTR2A
SCHEMBL731621 0.75 HMGB1 (0.55) TAAR1HTR2ATSHRMAPTHMGB1
SCHEMBL29465001 0.74 TYR (0.74) HTR2CTAAR1TSHRCYP3A4RECQL
SCHEMBL632515 0.74 TYR (0.74) HTR2CTAAR1TSHRCYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732413-B The synthesis technique of chiral N aryl amino acids acid amides 成都理工大学 2017-08-25 CN claimed
CN-104203918-B Novel polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(r)-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one, heminapadisylate as agonist of the beta2 adrenergic receptor. 阿尔米雷尔有限公司 2017-01-18 CN claimed
CN-105732413-A Synthetic process of chiral N-aromatic amino acid amide 成都理工大学 2016-07-06 CN claimed
CN-104892532-A Synthetic process of chiral 3-substituted 1,3,4,5-tetrahydro-1,4-benzodiazepine-2-ketone UNIV CHENGDU TECHNOLOGY 2015-09-09 CN claimed
CN-101674853-A Amino acid lipids and uses thereof NASTECH PHARM CO 2010-03-17 CN claimed
EP-0038071-B1 NEW UNLABELLED AND RADIOACTIVE LABELLED DERIVATIVES OF BUTYLAMINO PROPIOPHENONE, THEIR PREPARATION, IMMUNOGENS OBTAINED FROM THE UNLABELLED DERIVATIVES AND A PROCESS FOR IMMUNOGEN PREPARATION, ANTISERA RAISED USING THE IMMUNOGENS AND A METHOD FOR RAISING ANTISERA, A RADIOIMMUNOASSAY METHOD AND A TEST KIT FOR USE IN THE ASSAY METHOD THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-14 EP claimed
CN-106922129-B Methods of conjugating polypeptides 免疫医疗有限责任公司 2024-02-20 CN disclosed
CN-110650947-B Methods and molecules 免疫医疗有限责任公司 2023-05-12 CN disclosed
CN-110650947-A Methods and molecules 免疫医疗有限责任公司 2020-01-03 CN disclosed
CN-109689010-A Blue powder and its purposes in cosmetics 莱雅公司 2019-04-26 CN disclosed
CN-107531778-A Antigen-conjugated immunoreagents 赛尔伊迪克斯公司 2018-01-02 CN disclosed
CN-107501114-A A kind of synthetic method of chiral alpha aminoamide compound 大连理工大学 2017-12-22 CN disclosed
CN-106459205-A Conjugated compounds comprising cysteine-engineered antibodies 免疫医疗有限责任公司 2017-02-22 CN disclosed
WO-2006069175-A2 ANTIFUNGAL PROPERTIES OF VARIOUS FORMS OF SOPHOROLIPIDS POLYTECHNIC UNIVERSITY (US) 2006-06-29 WO disclosed
US-20060035875-A1 Remedy for hormone-dependent cancer KYOWA HAKKO KIRIN CO., LTD. (JP) 2006-02-16 US disclosed
EP-1568381-A1 REMEDY FOR HORMONE-DEPENDENT CANCER KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-08-31 EP disclosed
US-20050164955-A1 Antifungal properties of various forms of sophorolipids SyntheZyme, LLC 2005-07-28 US disclosed
WO-2004044216-A1 ANTIMICROBIAL PROPERTIES OF VARIOUS FORMS OF SOPHOROLIPIDS POLYTECHNIC UNIVERSITY (US) 2004-05-27 WO disclosed
CN-1035179-C New indol derivatives ALMIRALL LAB (ES) 1997-06-18 CN disclosed
CN-1087629-A new indole derivatives ALMIRALL LAB (ES) 1994-06-08 CN 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-20060035875-A1 Remedy for hormone-dependent cancer STS, CYP21A2, SHBG CHRNA7 4170/4885HTR2C 2225/4885HTR1A 1782/4885

“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.