SCHEMBL630808

SCHEMBL630808

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
VIPR2 P41587 1/20 0.36
GLP1R P43220 1/20 0.36
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
NOTUM Q6P988 1/20 0.36
RORB Q92753 1/20 0.35
S1PR1 P21453 2/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGFR P00533 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
SCHEMBL630830 0.92 RXRA (0.43) RXRARXRBRXRGMRGPRX4RORB
SCHEMBL631613 0.88 RXRA (0.38) RXRARXRBRXRGMRGPRX4NOTUM
SCHEMBL630567 0.87 NOTUM (0.41) RXRARXRBRXRGMRGPRX4NOTUM
SCHEMBL631128 0.86 RXRA (0.50) RXRARXRBRXRGNOTUMRORB
SCHEMBL630422 0.86 RXRA (0.41) RXRARXRBRXRGMRGPRX4NOTUM
SCHEMBL630502 0.85 CTSA (0.37) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL630550 0.84 RXRA (0.36) RXRARXRBRXRGMRGPRX4NOTUM
SCHEMBL631857 0.84 XDH (0.42) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL4188103 0.83 S1PR1 (0.45) S1PR1SMN1; SMN2L3MBTL1MITFS1PR4
SCHEMBL630546 0.83 RXRA (0.37) RXRARXRBRXRGMRGPRX4S1PR1

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.