SCHEMBL1974466

SCHEMBL1974466

CCCn1c(C)c(C(=O)N[C@H](c2cc(F)cc(F)c2)C2CCC2)c(C)c(Br)c1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
TACR3 P29371 5/20 0.34
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
FAAH O00519 3/20 0.34
ABHD12 Q8N2K0 1/20 0.32
WDR5 P61964 4/20 0.32
SMYD3 Q9H7B4 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL1974913 0.91 CYP2C9 (0.46) CYP2C9TACR3CNR1CNR2FAAH
SCHEMBL1976048 0.91 CNR2 (0.37) CYP2C9TACR3CNR1CNR2FAAH
SCHEMBL1973545 0.88 WDR5 (0.37) WDR5
SCHEMBL1972416 0.87 CYP2C9 (0.49) CYP2C9TACR3WDR5SMYD3
SCHEMBL1973603 0.87 CYP2C9 (0.49) CYP2C9TACR3WDR5SMYD3
SCHEMBL1975472 0.87 SMYD3 (0.41) TACR3CNR2SMYD3
SCHEMBL1977897 0.87 TACR3 (0.38) CYP2C9TACR3CNR1CNR2FAAH
SCHEMBL1974168 0.85 MEN1 (0.42) TACR3CNR2SMYD3
SCHEMBL1974363 0.84 WDR5 (0.40) CYP2C9WDR5
SCHEMBL1973919 0.84 MEN1 (0.42) TACR3CNR2SMYD3

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 9 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
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
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 26/4885CNR1 367/4885

“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.