SCHEMBL1263137

SCHEMBL1263137

N[C@@H]([C]=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
LAP3 P28838 3/20 0.48
ANPEP P15144 2/20 0.48
CYP2D6 P10635 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47

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
SCHEMBL79729 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL79728 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2814002 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4590113 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL5033051 0.88 SRR (0.49) EPHX1TAAR1ALPIPKMPTGS1
SCHEMBL20704751 0.88 SRR (0.49) EPHX1TAAR1ALPIPKMPTGS1
SCHEMBL10521797 0.85 EPHX1 (0.45) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6285380 0.83 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3
SCHEMBL6285385 0.83 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3
SCHEMBL3925001 0.83 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024392-B Deuterated kynurenine and application thereof in analysis of amino acid configuration in polypeptide 上海市食品药品检验研究院 2022-09-27 CN claimed
CN-113024392-A Deuterated kynurenine and application thereof in analysis of amino acid configuration in polypeptide 上海市食品药品检验研究院 2021-06-25 CN claimed
CN-106866792-B Cyclodecapeptide molecule and application thereof 中山大学 2020-09-04 CN claimed
CN-103059106-B Polymixin derivative and application thereof NORTHERN ANTIBIOTICS LTD 2015-01-14 CN claimed
CN-103059106-A Polymixin derivative and application thereof NOZERN ANTIBIOTIKS OJ 2013-04-24 CN claimed
US-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS VOYAGER PHARMACEUTICAL CORPORATION (US) 2011-08-11 US claimed
US-20100261639-A1 TRIAZOLE-BASED AMINOGLYCOSIDE-PEPTIDE CONJUGATES AND METHODS OF USE UNIVERSITY OF MANITOBA (CA) 2010-10-14 US claimed
CN-101812105-A Cytarabine 5'-O-amino-acid ester, salts thereof and preparation method thereof UNIV SHENYANG PHARMACEUTICAL 2010-08-25 CN claimed
EP-2167522-A2 TRIAZOLE-BASED AMINOGLYCOSIDE-PEPTIDE CONJUGATES AND METHODS OF USE University of Manitoba (CA) 2010-03-31 EP claimed
EP-1694348-A4 INHIBITION OF VOLUNTARY ETHANOL CONSUMPTION WITH SELECTIVE MELANOCORTIN 4-RECEPTOR AGONISTS MERCK & CO INC (US) 2009-07-01 EP claimed
EP-0097031-A2 Nonapeptide and decapeptide analogs of LHRH useful as LHRH antagonists, their preparation and compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-12-28 EP claimed
US-4419347-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1983-12-06 US claimed
EP-0077274-A1 3-Amino-2-hydroxy-4-phenylbutanoic acid derivatives and pharmaceutical composition containing the same ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-04-20 EP claimed
EP-0018072-B1 SYNTHETIC PEPTIDES HAVING PITUITARY GROWTH HORMONE RELEASING ACTIVITY BECKMAN INSTRUMENTS, INC. (US) 1983-01-26 EP claimed
US-4341767-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX INC. (US) 1982-07-27 US claimed
EP-0049628-A2 Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists, methods of making them, and their pharmaceutical uses SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP claimed
US-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 US claimed
EP-0035383-A1 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-09 EP claimed
EP-0000559-A1 Pentapeptide-N-alkylamides and their acid addition salts, methods for preparation of these compounds and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1979-02-07 EP claimed
US-4081433-A D-Nle4 -somatostatin and analogues thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1978-03-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS GNRHR, GRIN1, GRIN3A EPHX1 3156/4885SLC6A2 1034/4885TAAR1 478/4885
US-20100261639-A1 TRIAZOLE-BASED AMINOGLYCOSIDE-PEPTIDE CONJUGATES AND METHODS OF USE NRDC, ANPEP, DNPEP EPHX1 4880/4885SLC6A2 3602/4885TAAR1 3308/4885

“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.