SCHEMBL767279

SCHEMBL767279

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
GLA P06280 1/20 0.41
CREBBP Q92793 2/20 0.39
PDK2 Q15119 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
EED O75530 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL766973 0.88 NOTUM (0.46) TSHRRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10274548 0.84 RAB9A (0.48) TSHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL636299 0.81 RBP4 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL631285 0.75 RBP4 (0.64) ALDH1A1TSHRGAANPC1RAB9A
SCHEMBL10274113 0.74 AKR1C3 (0.45) ALDH1A1TSHRGAANPC1SMN1; SMN2
SCHEMBL767464 0.72 RAB9A (0.39) ALDH1A1TSHRGAARAB9ASMN1; SMN2
SCHEMBL10274310 0.70 RBP4 (0.48) ALDH1A1TSHRGAASMN1; SMN2KDM4E
SCHEMBL10274111 0.70 RBP4 (0.50) ALDH1A1TSHRGAARAB9ASMN1; SMN2
SCHEMBL10274552 0.70 GAA (0.43) GAARAB9AKMT2AMEN1L3MBTL1
SCHEMBL767083 0.70 RBP4 (0.44) ALDH1A1TSHRGAARAB9ASMN1; SMN2

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 ALDH1A1 784/4885TSHR 2139/4885GAA 3615/4885

“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.