SCHEMBL766165

SCHEMBL766165

CC(Oc1cc(C(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)nn1C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 13/20 0.51
TACR3 P29371 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TACR2 P21452 1/20 0.46
TACR1 P25103 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR2E1 Q9Y466 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL766398 0.83 RBP4 (0.53) RBP4TACR3CYP1A2CYP3A4CYP2D6
SCHEMBL766280 0.83 RBP4 (0.53) RBP4TACR3CYP1A2CYP3A4CYP2D6
SCHEMBL632510 0.80 RBP4 (0.57) RBP4TACR3CYP1A2CYP3A4CYP2D6
SCHEMBL766169 0.78 RBP4 (0.69) RBP4ALDH1A1LMNAMAPTKMT2A
SCHEMBL766102 0.75 MEN1 (0.49) RBP4ALDH1A1KMT2A
SCHEMBL766260 0.72 RBP4 (0.55) RBP4
SCHEMBL766329 0.72 RBP4 (0.57) RBP4TACR3CYP1A2CYP3A4CYP2D6
SCHEMBL766323 0.71 RBP4 (0.87) RBP4ALDH1A1LMNAKMT2A
SCHEMBL766281 0.71 RBP4 (0.54) RBP4ALDH1A1
SCHEMBL766179 0.71 RBP4 (0.72) RBP4KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.