SCHEMBL1974430

SCHEMBL1974430

CCCNn1c(C)c(C(=O)N[C@@H](CC)c2ccc(F)cc2)c(C)c(Br)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
FAAH O00519 1/20 0.39
TACR3 P29371 8/20 0.38
SLC6A9 P48067 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
KCNK3 O14649 4/20 0.35
TACR2 P21452 2/20 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
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL1975060 0.90 PPARG (0.40) PKMTACR3ALDH1A1SMN1; SMN2LMNA
SCHEMBL1973564 0.90 TACR3 (0.46) TACR3ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1974289 0.89 TACR3 (0.40) TACR3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1973525 0.85 FAAH (0.37) FAAHTACR3KCNK3CYP2C9PDE2A
SCHEMBL1974509 0.84 CTSA (0.33) TACR3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1976721 0.84 PKM (0.41) PKMFAAHTACR3SLC6A9ALDH1A1
SCHEMBL1974481 0.83 CNR2 (0.40) FAAHTACR3KCNK3CYP2C9PDE2A
SCHEMBL1975529 0.83 MAPK1 (0.39) TACR3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10150961 0.77 PPARG (0.40) LMNAMEN1KMT2APPARGKCNK3
SCHEMBL1974078 0.77 ALDH1A1 (0.45) TACR3ALDH1A1LMNAMEN1KMT2A

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 6 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
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
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
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 PKM 173/4885FAAH 2929/4885TACR3 26/4885

“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.