SCHEMBL2199543

SCHEMBL2199543

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CHRM3 P20309 9/20 0.45
CHRM2 P08172 6/20 0.45
LMNA P02545 3/20 0.45
CYP2D6 P10635 3/20 0.45
KCNH2 Q12809 2/20 0.45
CHRM1 P11229 2/20 0.45
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
PGR P06401 1/20 0.44
THRB P10828 1/20 0.44
ADRB3 P13945 1/20 0.44
OPRK1 P41145 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC47A1 Q96FL8 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
SCHEMBL2201271 0.92 KDM4E (0.45) KDM4ECTDSP1CHRM3CHRM2LMNA
SCHEMBL2201632 0.89 KDM4E (0.43) KDM4ECTDSP1CHRM3CHRM2LMNA
SCHEMBL2205198 0.83 CHRM3 (0.51) KDM4ECTDSP1CHRM3CHRM2LMNA
SCHEMBL9295790 0.83 CHRM3 (0.59) KDM4ECTDSP1CHRM3CHRM2LMNA
SCHEMBL18765519 0.75 CCNC (0.35) KDM4ELMNACYP2D6KCNH2CYP3A4
SCHEMBL2984162 0.74 CHRM3 (0.56) KDM4ECTDSP1CHRM3CHRM2LMNA
Hydrochloric Acid SCHEMBL30448099 0.72 CHRM3 (0.55) KDM4ECTDSP1CHRM3CHRM2LMNA
SCHEMBL18440611 0.72 CYP3A4 (0.45) KDM4ECTDSP1CHRM3CHRM2LMNA
SCHEMBL18994329 0.71 OPRM1 (0.69) KDM4ECTDSP1CHRM3CHRM2LMNA
SCHEMBL18248596 0.71 CHRM3 (0.54) KDM4ECTDSP1CHRM3CHRM2LMNA

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 1469/4885CHRM3 1829/4885

“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.