SCHEMBL924397

SCHEMBL924397

O=c1c(-c2ccccn2)cccn1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 2/20 0.43
ALDH1A1 P00352 4/20 0.43
BRD4 O60885 1/20 0.41
HTR7 P34969 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GRM1 Q13255 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 2/20 0.38
ACVR1 Q04771 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL28919430 0.78 ALDH1A1 (0.43) ALDH1A1HTR7CHRM2CHRM4CHRM5
SCHEMBL924660 0.76 KDM4C (0.44) ALDH1A1BRD4NPC1RAB9AKMT2A
SCHEMBL28607960 0.73 CNR2 (0.45) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL926925 0.72 POLB (0.47) ALDH1A1BRD4SMN1; SMN2GRM5TSHR
SCHEMBL15803819 0.68 IL4I1 (0.39) IL4I1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19531954 0.68 IL4I1 (0.39) IL4I1ALDH1A1GRM1NPC1RAB9A
SCHEMBL22881677 0.68 KDM4E (0.68) ALDH1A1BRD4HTR7NPC1RAB9A
SCHEMBL29723140 0.68 KDM4E (0.68) ALDH1A1BRD4HTR7NPC1RAB9A
SCHEMBL12853986 0.68 KDM4E (0.68) ALDH1A1BRD4HTR7NPC1RAB9A
SCHEMBL12853975 0.68 KDM4E (0.68) ALDH1A1BRD4HTR7NPC1RAB9A

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-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 IL4I1 3179/4885ALDH1A1 2087/4885BRD4 538/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP IL4I1 3179/4885ALDH1A1 2087/4885BRD4 538/4885

“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.