SCHEMBL1973908

SCHEMBL1973908

CCCNn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CC2)c(C)c(Br)c1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
TACR3 P29371 10/20 0.44
PPARG P37231 2/20 0.35
RIPK1 Q13546 1/20 0.35
PDE2A O00408 3/20 0.35
SMYD3 Q9H7B4 1/20 0.34
KCNK3 O14649 1/20 0.34

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
SCHEMBL1974172 0.97 CYP2C9 (0.45) CYP2C9TACR3PPARGSMYD3
SCHEMBL1978628 0.90 CYP2C9 (0.46) CYP2C9TACR3PPARGRIPK1PDE2A
SCHEMBL1973915 0.90 PPARG (0.37) CYP2C9TACR3PPARGRIPK1SMYD3
SCHEMBL1973525 0.89 FAAH (0.37) CYP2C9TACR3RIPK1PDE2AKCNK3
SCHEMBL1975767 0.89 RIPK1 (0.42) CYP2C9TACR3PPARGRIPK1SMYD3
SCHEMBL1974989 0.86 CYP2C9 (0.45) CYP2C9TACR3PPARGRIPK1
SCHEMBL1974481 0.86 CNR2 (0.40) CYP2C9TACR3PDE2AKCNK3
SCHEMBL1973603 0.86 CYP2C9 (0.49) CYP2C9TACR3PPARGRIPK1PDE2A
SCHEMBL1972416 0.86 CYP2C9 (0.49) CYP2C9TACR3PPARGRIPK1PDE2A
SCHEMBL1974248 0.86 MEN1 (0.41) TACR3RIPK1SMYD3KCNK3

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.