SCHEMBL5068346

SCHEMBL5068346

Cc1cc2ncc(C(=O)O)c(C(F)(F)F)n2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
DPP4 P27487 1/20 0.44
DPP9 Q86TI2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
MALT1 Q9UDY8 2/20 0.39
BIRC3 Q13489 1/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL19464226 0.83 GAA (0.53) CYP1A2ALDH1A1NPC1RAB9ADPP4
SCHEMBL758308 0.80 CYP1A2 (0.77) CYP1A2ALDH1A1NPC1RAB9ADPP4
SCHEMBL5068803 0.79 CYP1A2 (0.60) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28614649 0.78 CYP1A2 (0.59) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL759906 0.78 CYP1A2 (0.59) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20455857 0.75 CYP1A2 (0.56) CYP1A2ALDH1A1NPC1RAB9ADPP4
SCHEMBL28626791 0.75 CYP1A2 (0.56) CYP1A2ALDH1A1NPC1RAB9ADPP4
SCHEMBL19492753 0.75 CYP1A2 (0.40) CYP1A2ALDH1A1NPC1RAB9ADPP4
SCHEMBL28612984 0.73 CYP1A2 (0.54) CYP1A2ALDH1A1NPC1RAB9ADPP4
SCHEMBL18787770 0.72 NPC1 (0.47) CYP1A2ALDH1A1NPC1RAB9ASMN1; 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 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 CYP1A2 1070/4885ALDH1A1 2457/4885NPC1 371/4885

“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.