SCHEMBL13545396

SCHEMBL13545396

CNC(=O)C=C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12629554 0.80 ALDH1A1 (0.36) MAPTHTTKDM4EKMT2AALDH1A1
SCHEMBL21017064 0.77 MAPT (0.30) MAPTHTT
SCHEMBL5245447 0.75 CHRNB2 (0.35) HRH3
SCHEMBL1035256 0.74 TSHR (0.43) KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL23037273 0.72 TSHR (0.42) KDM4EALDH1A1
SCHEMBL8359251 0.72 ITGB3 (0.39) HRH3
SCHEMBL18353347 0.70
SCHEMBL16510369 0.70 HRH3 (0.31) HRH3
SCHEMBL14854669 0.70 MAOA (0.34) HRH3KDM4EKMT2A
SCHEMBL31554069 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 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 (2 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 MAPT 4758/4885HTT 3170/4885HRH3 156/4885
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 MAPT 4346/4885HTT 3658/4885HRH3 254/4885

“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.