SCHEMBL631038

SCHEMBL631038

N#Cc1cc(-c2coc(CCC(=O)O)n2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.49
RXRG P48443 4/20 0.49
RXRB P28702 3/20 0.47
CTSK P43235 4/20 0.46
XDH P47989 1/20 0.45
CTSS P25774 1/20 0.37
FFAR1 O14842 4/20 0.37
S1PR1 P21453 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PTGDR2 Q9Y5Y4 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 0.88 RXRA (0.58) RXRARXRGRXRBCTSKFFAR1
SCHEMBL631857 0.87 XDH (0.42) RXRARXRGRXRBCTSKXDH
SCHEMBL630413 0.83 RXRA (0.50) RXRARXRGRXRBCTSKFFAR1
SCHEMBL631128 0.83 RXRA (0.50) RXRARXRGRXRBCTSKFFAR1
SCHEMBL630601 0.83 RXRA (0.50) RXRARXRGRXRBCTSKFFAR1
SCHEMBL630500 0.81 RXRA (0.48) RXRARXRGRXRBCTSKFFAR1
SCHEMBL630566 0.80 RXRA (0.47) RXRARXRGRXRBCTSKFFAR1
SCHEMBL630811 0.78 RXRA (0.47) RXRARXRGRXRBCTSKFFAR1
SCHEMBL631614 0.77 RXRA (0.49) RXRARXRGRXRBCTSKFFAR1
SCHEMBL628814 0.76 RXRA (0.49) RXRARXRGRXRBS1PR1MRGPRX4

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 23/4885RXRG 77/4885RXRB 53/4885

“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.