SCHEMBL2279536

SCHEMBL2279536

COCC1CCN(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 2/20 0.40
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
NOD1 Q9Y239 1/20 0.38
GBA1 P04062 1/20 0.38
PLAUR Q03405 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALOX5AP P20292 1/20 0.36
LCK P06239 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
SCHEMBL2280045 0.92 HTT (0.39) HTTBACE1KDM4EMAPTRAB9A
SCHEMBL2281386 0.92 AKR1C3 (0.39) HTTBACE1KDM4EMAPTRAB9A
SCHEMBL2283162 0.90 HTT (0.40) HTTBACE1KDM4EMAPTLMNA
SCHEMBL2281972 0.90 HTT (0.41) HTTBACE1KDM4EMAPTRAB9A
SCHEMBL2282556 0.89 HTT (0.44) HTTBACE1KDM4EMAPTRAB9A
SCHEMBL2279774 0.89 HTT (0.43) HTTBACE1KDM4EMAPTRAB9A
SCHEMBL14688368 0.88 HTT (0.47) HTTKDM4EMAPTRAB9ALMNA
SCHEMBL2288409 0.88 HTT (0.40) HTTBACE1MAPTRAB9AGBA1
SCHEMBL2363690 0.87 HTT (0.46) HTTKDM4EMAPTRAB9ALMNA
SCHEMBL2229497 0.87 HTT (0.46) HTTKDM4EMAPTRAB9AGBA1

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 2538/4885BACE1 1/4885KDM4E 1975/4885

“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.