SCHEMBL766814

SCHEMBL766814

C=C(C)c1ccccc1N1CCN(C(=O)CC2CC(=O)N(CC(=O)OC)C(=O)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.39
OPRL1 P41146 6/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 3/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ENPP2 Q13822 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL10274110 0.89 RAB9A (0.41) RAB9ALMNAALDH1A1POLBTSHR
SCHEMBL766338 0.83 RBP4 (0.56) RAB9AOPRL1
SCHEMBL13154615 0.78 RBP4 (0.54) RAB9APOLBMEN1KMT2A
SCHEMBL631656 0.72 RBP4 (0.52)
SCHEMBL766253 0.71 RBP4 (0.63) POLBMEN1KMT2A
SCHEMBL13154541 0.70 RBP4 (0.50)
SCHEMBL10274310 0.69 RBP4 (0.48) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL631895 0.67 RBP4 (0.57) POLBTSHR
SCHEMBL766161 0.67 RBP4 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL630457 0.67 RBP4 (0.61) ALDH1A1

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 RAB9A 4205/4885LMNA 1842/4885OPRL1 3126/4885

“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.