SCHEMBL766289

SCHEMBL766289

CC(C)(C)c1cc(Br)ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 12/20 0.74
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL766070 0.90 RBP4 (0.73) RBP4PTGDR2ALDH1A1HPGDMAPT
SCHEMBL632040 0.85 RBP4 (1.00) RBP4PTGDR2ALDH1A1MAPTLMNA
SCHEMBL30996959 0.85 RBP4 (1.00) RBP4PTGDR2ALDH1A1MAPTLMNA
SCHEMBL630905 0.85 RBP4 (0.66) RBP4ALDH1A1MAPTBACE1LMNA
SCHEMBL631019 0.82 RBP4 (0.52) RBP4ALDH1A1TSHRLMNAMAPK1
SCHEMBL15774983 0.81 HTT (0.52) RBP4ALDH1A1HPGDMAPTTSHR
SCHEMBL16244952 0.80 RBP4 (0.59) RBP4ALDH1A1MAPTLMNAMAPK1
SCHEMBL766202 0.80 RBP4 (0.63) RBP4PTGDR2ALDH1A1HPGDMAPT
SCHEMBL382856 0.80 RBP4 (0.58) RBP4PTGDR2ALDH1A1MAPTNPC1
SCHEMBL631389 0.80 RBP4 (0.50) RBP4MAPTLMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
CN-102459209-A Derivatives of N-acyl-N' -phenylpiperazines for the prevention or treatment of diabetes (etc.) TAKEDA PHARMACEUTICAL 2012-05-16 CN disclosed
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 1/4885PTGDR2 3244/4885ALDH1A1 784/4885

“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.