SCHEMBL10274110

SCHEMBL10274110

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
RBP4 P02753 1/20 0.40
ENPP2 Q13822 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
AR P10275 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL766814 0.89 RAB9A (0.43) RAB9AENPP2MEN1KMT2APOLB
SCHEMBL766253 0.82 RBP4 (0.63) RBP4MEN1KMT2APOLB
SCHEMBL13154615 0.74 RBP4 (0.54) RAB9ARBP4MEN1KMT2APOLB
SCHEMBL13154541 0.73 RBP4 (0.50) RBP4
SCHEMBL766338 0.71 RBP4 (0.56) RAB9ARBP4
SCHEMBL630457 0.71 RBP4 (0.61) RBP4ARALDH1A1GAA
SCHEMBL631656 0.70 RBP4 (0.52) RBP4
SCHEMBL10274111 0.69 RBP4 (0.50) RAB9ARBP4ENPP2MEN1KMT2A
SCHEMBL10274548 0.69 RAB9A (0.48) RAB9ARBP4MEN1KMT2APOLB
SCHEMBL631635 0.68 RBP4 (0.61) RBP4L3MBTL1

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 4205/4885RBP4 1/4885ENPP2 537/4885

“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.