SCHEMBL2228735

SCHEMBL2228735

Cc1cccc(C(=O)N2CCCC2)c1-c1ccc2nc(N)c(N3CCCC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 11/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2226685 0.99 GBA1 (0.42) GBA1HTTMEN1POLBKMT2A
SCHEMBL2229497 0.93 HTT (0.46) GBA1HTTMEN1POLBKMT2A
SCHEMBL14688282 0.93 HTT (0.45) GBA1HTTMEN1POLBKMT2A
SCHEMBL2363690 0.91 HTT (0.46) GBA1HTTMEN1POLBKMT2A
SCHEMBL14688368 0.89 HTT (0.47) GBA1HTTMEN1POLBKMT2A
SCHEMBL14688767 0.87 BACE1 (0.37) GBA1HTTMEN1POLBKMT2A
SCHEMBL2226638 0.85 CYP46A1 (0.36) GBA1HTTMEN1POLBKMT2A
SCHEMBL2282556 0.85 HTT (0.44) GBA1HTTMEN1POLBKMT2A
SCHEMBL14688598 0.85 HTT (0.44) GBA1HTTMEN1POLBKMT2A
SCHEMBL14688509 0.85 HTT (0.43) GBA1HTTMEN1POLBKMT2A

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-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 GBA1 149/4885HTT 2538/4885MEN1 4321/4885

“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.