SCHEMBL632510

SCHEMBL632510

Cn1nc(C(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 15/20 0.57
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TACR2 P21452 1/20 0.48
TACR1 P25103 1/20 0.48
TACR3 P29371 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR2E1 Q9Y466 1/20 0.46
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL766398 0.81 RBP4 (0.53) RBP4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL766165 0.80 RBP4 (0.51) RBP4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL766280 0.80 RBP4 (0.53) RBP4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL766329 0.79 RBP4 (0.57) RBP4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL766086 0.78 L3MBTL1 (0.64) RBP4HSP90AA1HSP90AB1
SCHEMBL30996942 0.78 RBP4 (0.61) RBP4USP2MAPK1SMN1; SMN2
SCHEMBL631179 0.78 RBP4 (0.61) RBP4USP2MAPK1SMN1; SMN2
SCHEMBL766323 0.76 RBP4 (0.87) RBP4SMN1; SMN2
SCHEMBL630593 0.75 RBP4 (0.61) RBP4USP2MAPK1SMN1; SMN2
SCHEMBL766164 0.75 GAA (0.70) RBP4USP2MAPK1SMN1; SMN2

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 RBP4 1/4885CYP1A2 2852/4885CYP3A4 1092/4885

“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.