SCHEMBL924441

SCHEMBL924441

O=C(O)c1cc(-c2ccccn2)c(=O)n2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CYP2C9 P11712 1/20 0.39
TGFBR1 P36897 4/20 0.39
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
BRD4 O60885 2/20 0.36
PIN1 Q13526 1/20 0.36
METAP1 P53582 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL924628 0.78 PDE3B (0.42) KDM4EPDE3BPDE3ADHODHALDH1A1
SCHEMBL17427074 0.73 KDM4E (0.56) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL925047 0.73 PDE3B (0.47) KDM4EPDE3BPDE3A
SCHEMBL20939866 0.70 PDE3B (0.41) KDM4EPDE3BPDE3ACYP2C9ALDH1A1
SCHEMBL4723904 0.68 PDE3B (0.40) PDE3BPDE3A
SCHEMBL924660 0.68 KDM4C (0.44) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL1173966 0.67 KDM4E (0.52) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL30620596 0.67 KDM4E (0.52) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL28188176 0.67 KDM4E (0.61) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL28217365 0.67 KDM4E (0.61) KDM4EKDM6BKDM4AKDM5CKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4E 1391/4885KDM6B 1681/4885KDM4A 1900/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP KDM4E 1391/4885KDM6B 1681/4885KDM4A 1900/4885

“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.