SCHEMBL3731329

SCHEMBL3731329

CCOC(=O)CCCn1nnc(CO)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GAA P10253 1/20 0.40
TNF P01375 8/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EP300 Q09472 2/20 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
SCHEMBL3734067 0.83 ALDH1A1 (0.58) ALDH1A1PKMATMHSD17B10CYP1A2
SCHEMBL7507722 0.77 PKM (0.68) ALDH1A1PKMATMHSD17B10MAPT
SCHEMBL18623451 0.76 PKM (0.75) ALDH1A1PKMATMHSD17B10CYP1A2
SCHEMBL14145932 0.72 PKM (0.79) ALDH1A1PKMATMHSD17B10MAPT
SCHEMBL14641240 0.72 HSD17B10 (0.79) ALDH1A1PKMATMHSD17B10CYP1A2
SCHEMBL29328610 0.72 GAA (0.52) ALDH1A1CYP4F2CYP4A11GAATNF
SCHEMBL23069273 0.71 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP1A2CYP4F2CYP4A11
SCHEMBL10965121 0.70 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2GAATNF
SCHEMBL5965096 0.69 ALDH1A1 (0.45) ALDH1A1CYP1A2GAATNFMAPT
SCHEMBL7507085 0.69 PKM (0.68) ALDH1A1PKMATMHSD17B10MAPT

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
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
CN-1910151-A Cyclic amine derivative with heteroaryl ring SANKYO CO (JP) 2007-02-07 CN disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 ALDH1A1 1073/4885PKM 3626/4885ATM 1117/4885

“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.