SCHEMBL5070873

SCHEMBL5070873

Cc1c(C(=O)O)cnc2cc(C(C)(C)C)nn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
KDM4E B2RXH2 8/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 7/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
AURKA O14965 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
LTK P29376 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CDK8 P49336 1/20 0.45
CLK2 P49760 1/20 0.45

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
SCHEMBL758308 0.84 CYP1A2 (0.77) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL18826019 0.79 NPC1 (0.59) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL18787654 0.79 NPC1 (0.67) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL5068893 0.75 NPC1 (0.82) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL29952298 0.75 CYP1A2 (0.70) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL5068802 0.73 AURKA (0.55) KDM4ESMN1; SMN2HPGDHSD17B10LMNA
SCHEMBL8344809 0.72 RAB9A (1.00) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL2755207 0.72 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL235867 0.72 RAB9A (0.69) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL5660816 0.72 CYP1A2 (1.00) NPC1RAB9AKDM4ESMN1; SMN2HPGD

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-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 NPC1 371/4885RAB9A 3667/4885KDM4E 2352/4885

“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.