SCHEMBL630601

SCHEMBL630601

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.50
RXRB P28702 7/20 0.50
RXRG P48443 7/20 0.50
S1PR1 P21453 4/20 0.39
CTSK P43235 1/20 0.39
S1PR3 Q99500 1/20 0.37
FFAR1 O14842 3/20 0.36
RORB Q92753 2/20 0.36
GPR17 Q13304 1/20 0.36
RORC P51449 1/20 0.35
FOLH1 Q04609 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ABCC4 O15439 1/20 0.34
C5 P01031 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL630423 0.91 RXRA (0.58) RXRARXRBRXRGS1PR1CTSK
SCHEMBL630567 0.86 NOTUM (0.41) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL631128 0.86 RXRA (0.50) RXRARXRBRXRGS1PR1CTSK
SCHEMBL630413 0.86 RXRA (0.50) RXRARXRBRXRGS1PR1CTSK
SCHEMBL630500 0.84 RXRA (0.48) RXRARXRBRXRGS1PR1CTSK
SCHEMBL631038 0.83 RXRA (0.49) RXRARXRBRXRGS1PR1CTSK
SCHEMBL630566 0.83 RXRA (0.47) RXRARXRBRXRGS1PR1CTSK
SCHEMBL630811 0.80 RXRA (0.47) RXRARXRBRXRGS1PR1CTSK
SCHEMBL631614 0.79 RXRA (0.49) RXRARXRBRXRGCTSKFFAR1
SCHEMBL628814 0.78 RXRA (0.49) RXRARXRBRXRGS1PR1

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.