SCHEMBL3787073

SCHEMBL3787073

CCn1c(C2CC2)nn(CC2CO2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HBB P68871 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
CTSK P43235 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL3519829 0.80 TP53 (0.46) TP53HBBSMN1; SMN2CTSK
SCHEMBL3519832 0.80 TP53 (0.46) TP53HBBSMN1; SMN2CTSK
SCHEMBL3521168 0.74 TP53 (0.40) TP53HBBSMN1; SMN2
SCHEMBL29377089 0.72 TP53 (0.53) TP53HBBSMN1; SMN2CTSK
SCHEMBL11356595 0.70 TP53 (0.50) TP53HBBSMN1; SMN2CTSK
SCHEMBL3522774 0.70 ADORA2A (0.40) TP53HBBSMN1; SMN2ADORA2AADORA2B
SCHEMBL2340335 0.69 SMN1; SMN2 (0.78) TP53HBBSMN1; SMN2ADORA2AADORA2B
SCHEMBL10942144 0.69 SMN1; SMN2 (0.78) TP53HBBSMN1; SMN2ADORA2AADORA2B
SCHEMBL3518792 0.68 ALDH1A1 (0.35) TP53HBBSMN1; SMN2ADORA1
SCHEMBL3522346 0.68 ALDH1A1 (0.38) TP53HBBSMN1; SMN2ADORA2AADORA2B

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 8 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-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
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
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO 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 TP53 4878/4885HBB 3033/4885SMN1; SMN2 196/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 TP53 4878/4885HBB 3033/4885SMN1; 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.