SCHEMBL630422

SCHEMBL630422

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
S1PR1 P21453 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CTSK P43235 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
LMNA P02545 3/20 0.35
MITF O75030 1/20 0.35
S1PR4 O95977 1/20 0.35
HPGD P15428 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 3/20 0.35
KCNH2 Q12809 2/20 0.33
NOTUM Q6P988 1/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL630550 0.92 RXRA (0.36) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL630830 0.91 RXRA (0.43) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL630500 0.88 RXRA (0.48) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL631613 0.87 RXRA (0.38) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL630808 0.86 RXRA (0.38) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL630567 0.86 NOTUM (0.41) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL630502 0.84 CTSA (0.37) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL631857 0.83 XDH (0.42) RXRARXRBRXRGS1PR1CTSK
SCHEMBL4188103 0.82 S1PR1 (0.45) S1PR1SMN1; SMN2LMNAMITFS1PR4
SCHEMBL630546 0.82 RXRA (0.37) RXRARXRBRXRGS1PR1MRGPRX4

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.