SCHEMBL767464

SCHEMBL767464

C=C(C)c1ccccc1N1CCN(C(=O)C(=O)NC2CCSCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
GAA P10253 3/20 0.38
RBP4 P02753 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
MYC P01106 1/20 0.35
ALDH1A1 P00352 1/20 0.35
P4HB P07237 1/20 0.35
MAPT P10636 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL10274552 0.83 GAA (0.43) RAB9AGAARBP4L3MBTL1KMT2A
SCHEMBL766135 0.81 RBP4 (0.60) RAB9AGAARBP4
SCHEMBL10274111 0.75 RBP4 (0.50) RAB9AGAARBP4SMN1; SMN2TSHR
SCHEMBL10274548 0.75 RAB9A (0.48) RAB9ARBP4SMN1; SMN2TSHRKDM4E
SCHEMBL767083 0.74 RBP4 (0.44) RAB9AGAARBP4SMN1; SMN2TSHR
SCHEMBL766972 0.73 RBP4 (0.43) GAARBP4SMN1; SMN2TSHRKDM4E
SCHEMBL766973 0.72 NOTUM (0.46) RAB9ARBP4SMN1; SMN2TSHRL3MBTL1
SCHEMBL10274113 0.72 AKR1C3 (0.45) GAARBP4SMN1; SMN2TSHRKDM4E
SCHEMBL767279 0.72 ALDH1A1 (0.43) RAB9AGAASMN1; SMN2TSHRKDM4E
SCHEMBL766290 0.70 RBP4 (0.60) RAB9AGAARBP4

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 RAB9A 4205/4885GAA 3615/4885RBP4 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.