SCHEMBL766203

SCHEMBL766203

CCC1CN(c2ccc(Br)cc2C(C)(C)C)CCN1C(=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.56
BRD4 O60885 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
HSD11B1 P28845 2/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CETP P11597 1/20 0.32
OPRK1 P41145 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL766118 0.88 RBP4 (0.43) RBP4MAPTALDH1A1KDM4ELMNA
SCHEMBL766175 0.87 RBP4 (0.47) RBP4MAPTALDH1A1KDM4ELMNA
SCHEMBL766126 0.86 RBP4 (0.41) RBP4HSD11B1MAPTALDH1A1LMNA
SCHEMBL766213 0.85 RBP4 (0.40) RBP4MAPTALDH1A1KDM4ELMNA
SCHEMBL766232 0.84 RBP4 (0.40) RBP4HSD11B1MAPTALDH1A1LMNA
SCHEMBL766070 0.79 RBP4 (0.73) RBP4PTGDR2MAPTALDH1A1HPGD
SCHEMBL631571 0.75 RBP4 (0.48) RBP4BRD4PTGDR2HSD11B1MAPT
SCHEMBL766289 0.72 RBP4 (0.74) RBP4PTGDR2MAPTALDH1A1HPGD
SCHEMBL632040 0.72 RBP4 (1.00) RBP4PTGDR2MAPTALDH1A1LMNA
SCHEMBL30996959 0.72 RBP4 (1.00) RBP4PTGDR2MAPTALDH1A1LMNA

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 1/4885BRD4 143/4885PTGDR2 3244/4885

“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.