SCHEMBL2228900

SCHEMBL2228900

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.49
PDK2 Q15119 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
S1PR1 P21453 1/20 0.47
MEN1 O00255 1/20 0.46
PARP1 P09874 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
GPX4 P36969 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44

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 0.86 HPGD (0.71) HPGDTDP1ALDH1A1KMT2AS1PR1
SCHEMBL11913144 0.85 HPGD (0.74) HPGDTDP1CDK4CCND1KMT2A
SCHEMBL2200828 0.84 KMT2A (0.54) HPGDALDH1A1KMT2APDK2L3MBTL1
SCHEMBL12163948 0.84 HPGD (0.63) HPGDTDP1CDK4CCND1KMT2A
SCHEMBL19903834 0.84 HPGD (0.58) HPGDTDP1CDK4CCND1KMT2A
SCHEMBL23417313 0.84 HPGD (0.51) HPGDTDP1CDK4CCND1KMT2A
SCHEMBL10441250 0.83 HPGD (0.58) HPGDTDP1CDK4CCND1ALDH1A1
SCHEMBL22502136 0.83 L3MBTL1 (0.50) HPGDALDH1A1KMT2APDK2L3MBTL1
SCHEMBL2225313 0.83 HPGD (0.77) HPGDTDP1ALDH1A1KMT2AS1PR1
SCHEMBL8302947 0.82 LPAR1 (0.57) HPGDTDP1CDK4CCND1KMT2A

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.