SCHEMBL1974289

SCHEMBL1974289

CCCNn1c(C)c(C(=O)N[C@@H](CC)c2cccc(F)c2)c(C)c(Br)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 14/20 0.40
CYP26A1 O43174 1/20 0.36
PPARG P37231 1/20 0.35
MAPK1 P28482 2/20 0.35
TACR2 P21452 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL1975529 0.89 MAPK1 (0.39) TACR3CYP26A1PPARGMAPK1TACR2
SCHEMBL1974430 0.89 PKM (0.39) TACR3PPARGMAPK1TACR2MEN1
SCHEMBL1973564 0.88 TACR3 (0.46) TACR3MAPK1TACR2MEN1ALDH1A1
SCHEMBL1973908 0.86 CYP2C9 (0.48) TACR3PPARGCYP2C9
SCHEMBL1974267 0.85 TACR3 (0.41) TACR3CYP26A1PPARGMAPK1TACR2
SCHEMBL1974172 0.84 CYP2C9 (0.45) TACR3PPARGMAPK1MEN1ALDH1A1
SCHEMBL1974509 0.83 CTSA (0.33) TACR3CYP26A1MAPK1TACR2MEN1
SCHEMBL1975060 0.83 PPARG (0.40) TACR3CYP26A1PPARGMAPK1TACR2
SCHEMBL10150590 0.80 PDE10A (0.42) MAPK1KMT2A
SCHEMBL10150677 0.79 ROCK2 (0.37) TACR3CYP26A1PPARGMAPK1

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
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO claimed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US claimed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 TACR3 26/4885CYP26A1 1124/4885PPARG 1317/4885

“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.