SCHEMBL924875

SCHEMBL924875

COC(=O)c1cn(C2CCCC2)c(=O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
TSHR P16473 2/20 0.61
RAB9A P51151 1/20 0.61
BRD4 O60885 2/20 0.59
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 4/20 0.58
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.54
GAA P10253 3/20 0.51
MEN1 O00255 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NR4A2 P43354 1/20 0.47

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
SCHEMBL925044 0.83 KDM4E (0.64) HPGDTSHRRAB9AALDH1A1KMT2A
SCHEMBL21056698 0.77 KDM4E (0.56) HPGDBRD4ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9142762 0.76 MEN1 (0.49) HPGDTSHRBRD4ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9142770 0.75 MEN1 (0.51) HPGDTSHRRAB9AALDH1A1KMT2A
SCHEMBL30612380 0.75 KDM4E (0.47) HPGDTSHRRAB9AALDH1A1KMT2A
SCHEMBL21246071 0.73 KDM4E (0.43) HPGDTSHRRAB9AALDH1A1KMT2A
SCHEMBL19067238 0.73 GLP1R (0.61) HPGDTSHRALDH1A1KDM4ETP53
SCHEMBL1642049 0.72 ALDH1A1 (0.41) HPGDTSHRRAB9AALDH1A1KDM4E
SCHEMBL1640448 0.71 ALDH1A1 (0.43) HPGDTSHRRAB9AALDH1A1KMT2A
SCHEMBL27362176 0.70 ALDH1A1 (0.45) HPGDTSHRRAB9ABRD4ALDH1A1

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 HPGD 2249/4885TSHR 4409/4885RAB9A 1606/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP HPGD 2249/4885TSHR 4409/4885RAB9A 1606/4885

“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.