SCHEMBL2225313

SCHEMBL2225313

CCCCN(CC)C(=O)c1cccc(C)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.77
TDP1 Q9NUW8 1/20 0.77
ALDH1A1 P00352 1/20 0.72
TSHR P16473 1/20 0.61
GAA P10253 1/20 0.58
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
S1PR1 P21453 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LPAR1 Q92633 1/20 0.46
NAMPT P43490 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PARP1 P09874 1/20 0.45

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
SCHEMBL10456889 0.94 HPGD (0.71) HPGDTDP1ALDH1A1TSHRGAA
SCHEMBL11981556 0.91 HPGD (0.81) HPGDTDP1ALDH1A1TSHRGAA
SCHEMBL1023064 0.88 HPGD (0.67) HPGDTDP1ALDH1A1TSHRRXFP1
Diethyltoluamide SCHEMBL3797487 0.87 HPGD (1.00) HPGDTDP1ALDH1A1TSHRKMT2A
Diethyltoluamide SCHEMBL29976 0.87 HPGD (1.00) HPGDTDP1ALDH1A1TSHRKMT2A
Diethyltoluamide SCHEMBL29374310 0.87 HPGD (1.00) HPGDTDP1ALDH1A1TSHRKMT2A
SCHEMBL2614248 0.87 HPGD (0.70) HPGDTDP1ALDH1A1TSHRGAA
Diethyltoluamide SCHEMBL9476184 0.85 HPGD (0.96) HPGDTDP1ALDH1A1TSHRKMT2A
Diethyltoluamide SCHEMBL27921945 0.85 HPGD (0.96) HPGDTDP1ALDH1A1TSHRKMT2A
SCHEMBL12677921 0.85 HPGD (0.77) HPGDTDP1ALDH1A1TSHRKMT2A

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-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO 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 HPGD 2637/4885TDP1 1137/4885ALDH1A1 1402/4885

“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.