SCHEMBL4699564

SCHEMBL4699564

O=C(O)CCc1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
CTSG P08311 1/20 0.53
CMA1 P23946 1/20 0.53
PTGER1 P34995 2/20 0.51
PTGER4 P35408 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
PNMT P11086 1/20 0.50
FFAR1 O14842 2/20 0.49
TSHR P16473 1/20 0.47
AKR1B1 P15121 1/20 0.47
SLC22A12 Q96S37 2/20 0.47
GPR17 Q13304 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KEAP1 Q14145 1/20 0.45
PARP1 P09874 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL1694578 0.89 TAAR1 (0.52) TAAR1CTSGCMA1PTGER1PTGER4
SCHEMBL5846778 0.87 TAAR1 (0.50) TAAR1CTSGCMA1PNMTTSHR
SCHEMBL27918718 0.86 TAAR1 (0.57) TAAR1CTSGCMA1PNMTTSHR
SCHEMBL11349111 0.85 TAAR1 (0.55) TAAR1CTSGCMA1PNMTTSHR
SCHEMBL30288127 0.84 FFAR1 (0.59) TAAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL455219 0.84 FFAR1 (0.59) TAAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3591795 0.83 TAAR1 (0.46) TAAR1CTSGCMA1PTGER1PTGER4
SCHEMBL27503091 0.83 FFAR1 (0.48) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL6612012 0.83 PTGER1 (0.50) CTSGCMA1PTGER1PTGER4PTGER3
SCHEMBL13235696 0.83 IAPP (0.56) TAAR1CTSGCMA1PNMTTSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
WO-2012168458-A1 ZWITTERIONIC COMPOUNDS USEFUL AS CATALYSTS FOR ESTERIFICATION REACTIONS AND PROCESSES FOR THEIR PRODUCTION ECOSYNTH BVBA (BE) 2012-12-13 WO disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
CN-101712675-A Nitrogenous benzheterocycle derivate and application thereof to treating nervous and mental diseases JIANGSU GUOHUA INVEST CO LTD 2010-05-26 CN disclosed
EP-1326849-B1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2008-07-16 EP disclosed
US-6995155-B2 Benzodiazepine derivatives as inhibitors of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2006-02-07 US disclosed
US-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-06-02 US disclosed
WO-2005042516-A2 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-05-12 WO disclosed
US-20040024203-A1 Benzodiazepine derivatives as inhibitors of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1326849-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE Merck Sharp & Dohme Limited (GB) 2003-07-16 EP disclosed
WO-2002030912-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2002-04-18 WO disclosed
US-5677306-A ANTAGONIZING ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR, USEFUL FOR TREATING ALL ISCHEMIAS RHONE-POULENC RORER S.A. (FR) 1997-10-14 US disclosed
EP-0001002-B1 INDANAMINES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-08-12 EP disclosed
EP-0001002-A1 Indanamines, processes for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-03-07 EP disclosed
US-4128666-A PHENYLETHANOLAMINE N-METHYL-TRANSFERASE INHIBITORS SMITHKLINE CORPORATION (US) 1978-12-05 US disclosed
US-4096173-A Chlorinated 1-aminoindane N-methyl transferase inhibitors ELI LILLY AND COMPANY (US) 1978-06-20 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 (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-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC4R TAAR1 153/4885CTSG 2005/4885CMA1 934/4885
US-20040024203-A1 Benzodiazepine derivatives as inhibitors of gamma secretase BACE1, BACE2, PSEN1 TAAR1 1062/4885CTSG 495/4885CMA1 1009/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 TAAR1 524/4885CTSG 4386/4885CMA1 3750/4885

“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.