SCHEMBL924433

SCHEMBL924433

COC(=O)c1cnc(OC2CCCC2)c(-c2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
PDE4A P27815 2/20 0.42
TGFBR1 P36897 1/20 0.41
GRM5 P41594 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR2 P34972 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
AXL P30530 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
GABRA5 P31644 1/20 0.38
ABL1 P00519 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL20021956 0.85 CNR1 (0.53) CNR1PDE4ACNR2FFAR4GABRA5
SCHEMBL925225 0.82 CNR1 (0.53) CNR1PDE4ACNR2FFAR4ABL1
SCHEMBL924247 0.76 KMT2A (0.47) CNR1PDE4AALDH1A1GABRA5
SCHEMBL71189 0.73 PDE4D (0.46) PDE4A
SCHEMBL3217944 0.73 HPGDS (0.55) TGFBR1GRM5ALDH1A1TRPM8AXL
SCHEMBL2704505 0.73 CNR1 (0.71) CNR1ALDH1A1CNR2PDGFRBKDR
SCHEMBL20021958 0.72 CNR1 (0.54) CNR1PDE4ACNR2FFAR4
SCHEMBL926925 0.72 POLB (0.47) TGFBR1GRM5ALDH1A1
SCHEMBL19510615 0.72 FFAR4 (0.65) FFAR4
SCHEMBL30462928 0.72 FFAR4 (0.65) FFAR4

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 4 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
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CNR1 506/4885PDE4A 234/4885TGFBR1 508/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP CNR1 506/4885PDE4A 234/4885TGFBR1 508/4885

“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.