SCHEMBL766973

SCHEMBL766973

C=C(C)c1ccccc1N1CCN(C(=O)C(=O)N2CCC(C(=O)O)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.46
RAB9A P51151 1/20 0.42
TSHR P16473 3/20 0.42
RBP4 P02753 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CPB1 P15086 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 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
SCHEMBL10274548 0.94 RAB9A (0.48) NOTUMRAB9ATSHRRBP4MEN1
SCHEMBL767279 0.88 ALDH1A1 (0.43) RAB9ATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL630858 0.80 RBP4 (0.68) NOTUMTSHRRBP4
SCHEMBL10274113 0.77 AKR1C3 (0.45) TSHRRBP4MEN1KMT2ASMN1; SMN2
SCHEMBL631908 0.73 RBP4 (0.73) NOTUMRBP4MEN1KMT2AL3MBTL1
SCHEMBL10274111 0.73 RBP4 (0.50) RAB9ATSHRRBP4MEN1KMT2A
SCHEMBL767464 0.72 RAB9A (0.39) RAB9ATSHRRBP4KMT2AMAPT
SCHEMBL10274552 0.70 GAA (0.43) RAB9ARBP4MEN1KMT2AMAPT
SCHEMBL767083 0.70 RBP4 (0.44) RAB9ATSHRRBP4MEN1KMT2A
SCHEMBL766972 0.69 RBP4 (0.43) TSHRRBP4MEN1KMT2AMAPT

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 NOTUM 2302/4885RAB9A 4205/4885TSHR 2139/4885

“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.