SCHEMBL3518792

SCHEMBL3518792

CCn1c(-c2cccn2C)nn(CC2CO2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.34
HBB P68871 1/20 0.34
MAPK1 P28482 1/20 0.33
DHFR P00374 1/20 0.33
ADORA1 P30542 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3523978 0.75 CYP2C19 (0.43) ALDH1A1KDM4ELMNAMAPK1
SCHEMBL3519829 0.74 TP53 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL3519832 0.74 TP53 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL3522346 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNATSHRTP53
SCHEMBL3522774 0.70 ADORA2A (0.40) ALDH1A1SMN1; SMN2TP53HBBDHFR
SCHEMBL3787073 0.68 TP53 (0.42) SMN1; SMN2TP53HBBADORA1
SCHEMBL29377089 0.68 TP53 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTTP53
SCHEMBL3784833 0.67 TP53 (0.44) SMN1; SMN2TP53HBBDHFR
SCHEMBL3784835 0.67 TP53 (0.44) SMN1; SMN2TP53HBBDHFR
SCHEMBL3525181 0.67 TP53 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTTP53

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 9 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
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP 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 ALDH1A1 1852/4885SMN1; SMN2 196/4885HSD17B10 2731/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 ALDH1A1 1852/4885SMN1; SMN2 196/4885HSD17B10 2731/4885

“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.