SCHEMBL2280045

SCHEMBL2280045

CCOCC1CCN(C(=O)c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
JAK1 P23458 1/20 0.37
BACE1 P56817 1/20 0.37
LMNA P02545 1/20 0.37
GBA1 P04062 1/20 0.37
PRKDC P78527 1/20 0.36
PLAUR Q03405 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LGMN Q99538 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2279536 0.92 HTT (0.40) HTTMEN1KMT2ABACE1LMNA
SCHEMBL2283162 0.90 HTT (0.40) HTTMEN1KMT2ABACE1LMNA
SCHEMBL2288409 0.89 HTT (0.40) HTTMEN1KMT2AJAK1BACE1
SCHEMBL2282556 0.88 HTT (0.44) HTTMEN1KMT2AJAK1BACE1
SCHEMBL2281386 0.88 AKR1C3 (0.39) HTTMEN1KMT2ABACE1GBA1
SCHEMBL2279774 0.87 HTT (0.43) HTTMEN1KMT2ABACE1GBA1
SCHEMBL14688368 0.87 HTT (0.47) HTTMEN1KMT2ALMNAGBA1
SCHEMBL2281972 0.87 HTT (0.41) HTTMEN1KMT2ABACE1GBA1
SCHEMBL2363690 0.85 HTT (0.46) HTTMEN1KMT2ALMNAGBA1
SCHEMBL2229497 0.85 HTT (0.46) HTTMEN1KMT2AGBA1PLAUR

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 2538/4885MEN1 4321/4885KMT2A 1229/4885

“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.