SCHEMBL718887

SCHEMBL718887

Cc1c(C(Nc2ccccc2C(=O)NCCC(=O)O)C2CCCCC2)oc2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GCG P01275 8/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3397932 0.86 GCG (0.48) SMN1; SMN2GCG
SCHEMBL718505 0.83 NPC1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3402110 0.81 CNR1 (0.39) CNR2CNR1NPC1RAB9AKDM4E
SCHEMBL718024 0.80 GCG (0.43) GCG
SCHEMBL716868 0.77 MEN1 (0.47) KDM4ESMN1; SMN2GCGMAPT
SCHEMBL3400480 0.75 RCE1 (0.45) GCG
SCHEMBL720334 0.75 RCE1 (0.59) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL720544 0.74 GCG (0.46) NPC1RAB9ASMN1; SMN2GCGALDH1A1
SCHEMBL3397384 0.73 NPC1 (0.42) NPC1RAB9AALDH1A1
SCHEMBL3395640 0.72 GCG (0.51) GCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CNR2 1387/4885CNR1 1378/4885NPC1 902/4885

“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.