SCHEMBL2281972

SCHEMBL2281972

COC1CCN(C(=O)c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
HPGD P15428 4/20 0.40
GBA1 P04062 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
PLAUR Q03405 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 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
SCHEMBL2282556 0.92 HTT (0.44) HTTHPGDGBA1ALOX5APLCK
SCHEMBL2288409 0.91 HTT (0.40) HTTGBA1ALOX5APLCKKIT
SCHEMBL2279774 0.91 HTT (0.43) HTTHPGDGBA1ALOX5APLCK
SCHEMBL14688368 0.91 HTT (0.47) HTTHPGDGBA1ALOX5APLCK
SCHEMBL14688323 0.91 HSP90AA1 (0.41) HTTGAAKMT2APIK3CANPC1
SCHEMBL2279536 0.90 HTT (0.40) HTTHPGDGBA1ALOX5APLCK
SCHEMBL2363690 0.89 HTT (0.46) HTTHPGDGBA1ALOX5APLCK
SCHEMBL2229497 0.89 HTT (0.46) HTTHPGDGBA1ALOX5APLCK
SCHEMBL2280148 0.89 HTT (0.41) HTTHPGDGBA1ALOX5APLCK
SCHEMBL2281386 0.88 AKR1C3 (0.39) HTTHPGDGBA1ALOX5APPLAUR

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 2538/4885HPGD 2637/4885GBA1 149/4885

“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.