SCHEMBL1974248

SCHEMBL1974248

CCCNn1c(C)c(C(=O)N[C@H](c2ccccc2)C2CCCC2)c(C)c(Br)c1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMYD3 Q9H7B4 5/20 0.40
RIPK1 Q13546 1/20 0.39
TACR3 P29371 4/20 0.37
KCNK3 O14649 1/20 0.37

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
SCHEMBL1976044 0.99 MEN1 (0.41) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL1975073 0.98 SMYD3 (0.40) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL1975767 0.96 RIPK1 (0.42) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL1974481 0.89 CNR2 (0.40) TACR3KCNK3
SCHEMBL1974172 0.88 CYP2C9 (0.45) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL1976362 0.87 WDR91 (0.37) MEN1MAPK1KMT2ASMYD3RIPK1
SCHEMBL1973525 0.87 FAAH (0.37) RIPK1TACR3KCNK3
SCHEMBL1973915 0.86 PPARG (0.37) SMYD3RIPK1TACR3KCNK3
SCHEMBL1973908 0.86 CYP2C9 (0.48) SMYD3RIPK1TACR3KCNK3
SCHEMBL1974168 0.85 MEN1 (0.42) MEN1ALDH1A1MAPK1KMT2ASMYD3

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 7 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
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 MEN1 2098/4885ALDH1A1 2028/4885MAPK1 2115/4885

“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.