SCHEMBL3520575

SCHEMBL3520575

Cc1nc(=O)[nH]c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRNB2 P17787 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1E P28566 1/20 0.36
CHRNA3 P32297 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
PDE2A O00408 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CSNK2A2 P19784 1/20 0.33

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
SCHEMBL3519008 0.74 ADORA2A (0.43) KDM4EPDE3AADORA2AADORA2BHPGD
SCHEMBL3519866 0.73 MEN1 (0.37) KDM4EALDH1A1ADORA2AADORA2BHPGD
SCHEMBL3519578 0.71 CA12 (0.35) KDM4EALDH1A1CHRNB2ADRA1DHTR1E
SCHEMBL13009901 0.71 LMNA (0.37) KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3524311 0.71 KDM4E (0.41) KDM4EALDH1A1CHRNB2ADRA1DHTR1E
SCHEMBL11019864 0.71 HPGD (0.41) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL3519626 0.71 ADORA2B (0.40) KDM4EALDH1A1ADORA2AADORA2BLMNA
SCHEMBL3522549 0.70 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3519853 0.69 HCAR1 (0.42) KDM4EALDH1A1ADORA2BMEN1KMT2A
SCHEMBL6876786 0.69 GAA (0.58) KDM4EALDH1A1LMNAHPGDMEN1

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 12 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
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
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 KDM4E 2348/4885ALDH1A1 1852/4885CHRNB2 326/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 KDM4E 2348/4885ALDH1A1 1852/4885CHRNB2 326/4885

“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.