SCHEMBL4343729

SCHEMBL4343729

c1cc2c(cn1)OC1(CCC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.42
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNA4 P43681 3/20 0.35
▸ CCNC P24863 2/20 0.33
▸ CDK8 P49336 2/20 0.33
▸ HASPIN Q8TF76 2/20 0.33
▸ CDK19 Q9BWU1 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SCD O00767 2/20 0.32
▸ CHRNA7 P36544 1/20 0.32

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
SCHEMBL24408840 0.83 HTR2A (0.42) SIGMAR1DRD2HTR2ASCD
SCHEMBL24408813 0.83 CHRNB2 (0.41) SIGMAR1CHRNB2CHRNA4CCNCCDK8
SCHEMBL2077983 0.73 SIGMAR1 (0.57) SIGMAR1DRD2HTR2ASCD
SCHEMBL30376964 0.73 SIGMAR1 (0.57) SIGMAR1DRD2HTR2ASCD
SCHEMBL23811371 0.71 CHRNB2 (0.43) SIGMAR1CHRNB2CHRNA4CCNCCDK8
SCHEMBL21142848 0.71 CHRNB2 (0.47) SIGMAR1CHRNB2CHRNA4CCNCCDK8
SCHEMBL24408853 0.70 KMT2A (0.36) —
SCHEMBL20747125 0.70 KDM4E (0.49) SIGMAR1CCNCCDK8HASPINCDK19
SCHEMBL18020472 0.70 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4HTR2ACHRNA7
SCHEMBL3560241 0.69 SIGMAR1 (0.57) SIGMAR1DRD2HTR2ASCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 — — US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 — — US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 — — 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-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP SIGMAR1 816/4885CHRNB2 41/4885CHRNA4 56/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP SIGMAR1 708/4885CHRNB2 51/4885CHRNA4 31/4885

“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.

Send feedback