SCHEMBL4989116

SCHEMBL4989116

CC(C)C(N)(C(N)=O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.75
CYP1A2 P05177 1/20 0.75
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
KIF11 P52732 2/20 0.46
CHRM3 P20309 2/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KCNN4 O15554 8/20 0.43
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 1/20 0.41
ALOX5 P09917 1/20 0.39

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
SCHEMBL2454503 0.86 CYP1A2 (1.00) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL2454501 0.86 CYP1A2 (1.00) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL838044 0.80 CYP2D6 (0.54) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL838052 0.80 CYP2D6 (0.54) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL4886581 0.80 CYP2D6 (0.54) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL17513527 0.80 CYP1A2 (0.53) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL75956 0.79 CYP1A2 (0.68) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL28636479 0.79 CYP2D6 (0.68) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL20681289 0.78 MAPT (0.61) CYP2D6CYP1A2MAPTKMT2AKIF11
SCHEMBL27570861 0.78 CYP1A2 (0.78) CYP2D6CYP1A2MAPTKMT2AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 CYP2D6 689/4885CYP1A2 528/4885MAPT 3215/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 CYP2D6 689/4885CYP1A2 528/4885MAPT 3215/4885

“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.