SCHEMBL2279774

SCHEMBL2279774

Cc1cccc(C(=O)N2CCC(C)CC2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
GBA1 P04062 1/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
PLAUR Q03405 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5AP P20292 2/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 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
SCHEMBL14688580 0.95 HTT (0.40) HTTGBA1TP53MAPTPLAUR
SCHEMBL14688582 0.95 HTT (0.40) HTTGBA1TP53MAPTPLAUR
SCHEMBL2282556 0.94 HTT (0.44) HTTGBA1TP53MAPTPLAUR
SCHEMBL14688368 0.93 HTT (0.47) HTTGBA1TP53MAPTPLAUR
SCHEMBL2229497 0.91 HTT (0.46) HTTGBA1TP53MAPTPLAUR
SCHEMBL2363690 0.91 HTT (0.46) HTTGBA1TP53MAPTPLAUR
SCHEMBL2281972 0.91 HTT (0.41) HTTGBA1TP53MAPTPLAUR
SCHEMBL2280148 0.91 HTT (0.41) HTTGBA1TP53MAPTPLAUR
SCHEMBL2280240 0.91 HTT (0.41) HTTGBA1TP53MAPTPLAUR
SCHEMBL14688282 0.90 HTT (0.45) HTTGBA1TP53MAPTPLAUR

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-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US claimed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US claimed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO claimed
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP 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 (1 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B HTT 2538/4885GBA1 149/4885TP53 2506/4885

“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.