SCHEMBL2201632

SCHEMBL2201632

CCC(C(N)=O)(c1ccccc1)c1ccnc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KCNH2 Q12809 3/20 0.43
OPRK1 P41145 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
PGR P06401 1/20 0.43
THRB P10828 1/20 0.43
ADRB3 P13945 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
PDE3A Q14432 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM3 P20309 4/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41

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
SCHEMBL2199543 0.89 KDM4E (0.47) KDM4ECTDSP1KCNH2OPRK1SLC22A2
SCHEMBL2201271 0.87 KDM4E (0.45) KDM4ECTDSP1KCNH2OPRK1SLC22A2
SCHEMBL2202827 0.82 CHRM3 (0.47) KDM4ECTDSP1KCNH2OPRK1SLC22A2
SCHEMBL4030430 0.82 MAPT (0.55) KDM4ECTDSP1KCNH2OPRK1SLC22A2
Hydrochloric Acid SCHEMBL5252883 0.80 MAPT (0.53) KDM4ECTDSP1KCNH2OPRK1SLC22A2
SCHEMBL28232039 0.74 KDM4E (0.42) KDM4ECTDSP1KCNH2OPRK1SLC22A2
SCHEMBL17439469 0.72 KMT2A (0.46) KDM4ECTDSP1KCNH2OPRK1SLC22A2
SCHEMBL364575 0.72 KCNN4 (0.40) KDM4EWNT3A
SCHEMBL18765524 0.71 CCNC (0.35) CYP2D6KMT2ANR3C2CCNCCDK8
SCHEMBL2205198 0.71 CHRM3 (0.51) KDM4ECTDSP1KCNH2OPRK1SLC22A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 KDM4E 2860/4885CTDSP1 1469/4885KCNH2 4513/4885

“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.