SCHEMBL631614

SCHEMBL631614

O=C(O)CCc1nc(-c2cc(-c3cccs3)cc(C(F)(F)F)c2)co1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.49
RXRB P28702 4/20 0.49
RXRG P48443 4/20 0.49
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 4/20 0.39
GPR17 Q13304 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSK P43235 1/20 0.39
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL631924 0.89 RXFP1 (0.39) RXRARXRBRXRGMCL1ALDH1A1
SCHEMBL630423 0.84 RXRA (0.58) RXRARXRBRXRGKDM4EHPGD
SCHEMBL630811 0.82 RXRA (0.47) RXRARXRBRXRGFFAR1CTSK
SCHEMBL631128 0.79 RXRA (0.50) RXRARXRBRXRGFFAR1CTSK
SCHEMBL630413 0.79 RXRA (0.50) RXRARXRBRXRGFFAR1CTSK
SCHEMBL630601 0.79 RXRA (0.50) RXRARXRBRXRGKDM4EHPGD
SCHEMBL630500 0.78 RXRA (0.48) RXRARXRBRXRGFFAR1CTSK
SCHEMBL631038 0.77 RXRA (0.49) RXRARXRBRXRGFFAR1CTSK
SCHEMBL630566 0.77 RXRA (0.47) RXRARXRBRXRGFFAR1CTSK
SCHEMBL628814 0.75 RXRA (0.49) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 WO 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 RXRA 23/4885RXRB 53/4885RXRG 77/4885

“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.