SCHEMBL1973603

SCHEMBL1973603

CCCn1c(C)c(C(=O)N[C@@H](c2cccc(F)c2)C2CC2)c(C)c(Br)c1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
TACR3 P29371 10/20 0.45
PPARG P37231 2/20 0.38
RIPK1 Q13546 1/20 0.36
MAPT P10636 1/20 0.36
PDE2A O00408 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
WDR5 P61964 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
SCHEMBL1972416 1.00 CYP2C9 (0.49) CYP2C9TACR3PPARGRIPK1MAPT
SCHEMBL1974913 0.96 CYP2C9 (0.46) CYP2C9TACR3PPARGRIPK1MAPT
SCHEMBL1974356 0.89 PPARG (0.39) CYP2C9TACR3PPARGRIPK1MAPT
SCHEMBL1977897 0.89 TACR3 (0.38) CYP2C9TACR3RIPK1PDE2AWDR5
SCHEMBL1975975 0.89 RIPK1 (0.43) CYP2C9TACR3PPARGRIPK1SMYD3
SCHEMBL1974363 0.88 WDR5 (0.40) CYP2C9PDE2AWDR5
SCHEMBL1974496 0.88 CYP2C9 (0.43) CYP2C9TACR3PPARGMAPTSMYD3
SCHEMBL1974466 0.87 CYP2C9 (0.35) CYP2C9TACR3SMYD3WDR5
SCHEMBL1973908 0.86 CYP2C9 (0.48) CYP2C9TACR3PPARGRIPK1PDE2A
SCHEMBL7942594 0.86 CYP2C9 (0.47) CYP2C9TACR3PPARGRIPK1MAPT

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 CYP2C9 2501/4885TACR3 26/4885PPARG 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.