SCHEMBL766102

SCHEMBL766102

CC(Oc1ccc2c(c1)cc(C(=O)N1CCN(c3ccccc3C(C)(C)C)CC1)n2C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RBP4 P02753 12/20 0.48
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
SRD5A2 P31213 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GALR3 O60755 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL766132 0.85 RBP4 (0.49) MEN1KMT2ARBP4DRD2DRD3
SCHEMBL631348 0.85 SRD5A2 (0.59) MEN1KMT2ARBP4DRD2DRD3
SCHEMBL631387 0.83 MEN1 (0.53) MEN1KMT2ARBP4HSD17B10
SCHEMBL630813 0.82 DRD2 (0.47) MEN1KMT2ARBP4DRD2DRD3
SCHEMBL766169 0.81 RBP4 (0.69) MEN1KMT2ARBP4KDM4EALDH1A1
SCHEMBL27873706 0.77 RBP4 (0.51) MEN1KMT2ARBP4SMN1; SMN2HSD17B10
SCHEMBL766179 0.75 RBP4 (0.72) MEN1KMT2ARBP4
SCHEMBL766165 0.75 RBP4 (0.51) KMT2ARBP4ALDH1A1
SCHEMBL766303 0.74 RBP4 (0.57) RBP4GAA
SCHEMBL766224 0.69 RBP4 (0.62) MEN1KMT2ARBP4ALDH1A1HPGD

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 MEN1 3929/4885KMT2A 802/4885RBP4 1/4885

“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.