SCHEMBL2225809

SCHEMBL2225809

Cc1cccc(C(=O)N(C)CCC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
NAMPT P43490 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP1 P09874 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ATM Q13315 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 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
SCHEMBL14688458 0.88 HPGD (0.57) HPGDTDP1CDK4CCND1NAMPT
SCHEMBL25442225 0.84 CDK4 (0.53) HPGDCDK4CCND1NAMPTMEN1
SCHEMBL19903834 0.83 HPGD (0.58) HPGDTDP1CDK4CCND1MEN1
SCHEMBL12163948 0.83 HPGD (0.63) HPGDTDP1CDK4CCND1MEN1
SCHEMBL16941093 0.82 NAMPT (0.56) CDK4CCND1NAMPTMEN1KMT2A
SCHEMBL16941091 0.81 NAMPT (0.52) CDK4CCND1NAMPTSMN1; SMN2
SCHEMBL11913144 0.80 HPGD (0.74) HPGDTDP1CDK4CCND1MEN1
SCHEMBL2228900 0.80 HPGD (0.59) HPGDTDP1CDK4CCND1NAMPT
SCHEMBL842996 0.79 HPGD (0.54) HPGDTDP1CDK4CCND1MEN1
SCHEMBL15930096 0.79 HPGD (0.54) HPGDTDP1CDK4CCND1NAMPT

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 1137/4885CDK4 2413/4885

“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.