SCHEMBL3519008

SCHEMBL3519008

CCCn1c(C)nc(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.43
ADORA2B P29275 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
ADORA3 P0DMS8 3/20 0.42
HPGD P15428 2/20 0.42
ADORA1 P30542 2/20 0.42
BLM P54132 1/20 0.42
PDE3A Q14432 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3519626 0.86 ADORA2B (0.40) ADORA2AADORA2BSMN1; SMN2MAPTPDE4A
SCHEMBL3519866 0.82 MEN1 (0.37) ADORA2AADORA2BHPGDKDM4E
SCHEMBL3522549 0.79 ALDH1A1 (0.42) GLAHPGDHSD17B10KDM4ECYP2C9
SCHEMBL3517522 0.77 CSNK1E (0.35) HPGDHSD17B10KDM4E
SCHEMBL3520575 0.74 KDM4E (0.37) ADORA2AADORA2BHPGDPDE3AKDM4E
SCHEMBL17935736 0.72 APEX1 (0.54) ADORA2AADORA2BSMN1; SMN2GLAMAPT
SCHEMBL559878 0.72 MAPT (0.50) ADORA2AADORA2BSMN1; SMN2GLAMAPT
SCHEMBL13134337 0.71 MAPT (0.44) ADORA2AADORA2BSMN1; SMN2GLAMAPT
SCHEMBL12045850 0.71 P2RX3 (0.52) SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL27302135 0.68 ADORA2B (0.60) ADORA2AADORA2BGLAPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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 (2 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 ADORA2A 1006/4885ADORA2B 970/4885SMN1; SMN2 196/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 ADORA2A 1006/4885ADORA2B 970/4885SMN1; SMN2 196/4885

“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.