SCHEMBL766398

SCHEMBL766398

Cn1nc(C(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)cc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 15/20 0.53
TACR3 P29371 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR2E1 Q9Y466 1/20 0.42
DRD2 P14416 1/20 0.40

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
SCHEMBL766280 0.89 RBP4 (0.53) RBP4TACR3CYP1A2CYP3A4CYP2D6
SCHEMBL766165 0.83 RBP4 (0.51) RBP4TACR3CYP1A2CYP3A4CYP2D6
SCHEMBL632510 0.81 RBP4 (0.57) RBP4TACR3CYP1A2CYP3A4CYP2D6
SCHEMBL766305 0.77 RBP4 (0.71) RBP4
SCHEMBL766128 0.77 RBP4 (0.54) RBP4TACR3
SCHEMBL30227165 0.77 RBP4 (0.54) RBP4TACR3
SCHEMBL766192 0.77 RBP4 (0.57) RBP4CYP3A4CYP2C9CYP2C19
SCHEMBL766086 0.74 L3MBTL1 (0.64) RBP4DRD2
SCHEMBL766132 0.74 RBP4 (0.49) RBP4DRD2
SCHEMBL766267 0.73 RBP4 (0.58) RBP4

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 9 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
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-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-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
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
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
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 1/4885TACR3 4275/4885CYP1A2 2852/4885

“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.