SCHEMBL1975975

SCHEMBL1975975

CCCn1c(C)c(C(=O)N[C@H](c2ccccc2)C2CC2)c(C)c(Br)c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
SMYD3 Q9H7B4 4/20 0.42
TACR3 P29371 5/20 0.41
CNR2 P34972 1/20 0.40
CYP2C9 P11712 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNA5 P22460 1/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 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
SCHEMBL1974168 0.96 MEN1 (0.42) RIPK1SMYD3TACR3CNR2KCNK3
SCHEMBL1975472 0.96 SMYD3 (0.41) RIPK1SMYD3TACR3CNR2KCNK3
SCHEMBL1973919 0.95 MEN1 (0.42) RIPK1SMYD3TACR3CNR2KCNK3
SCHEMBL1975592 0.90 WDR91 (0.38) RIPK1CYP2C9MEN1ALDH1A1MAPK1
SCHEMBL1977897 0.90 TACR3 (0.38) RIPK1TACR3CNR2CYP2C9KCNK3
SCHEMBL1972416 0.89 CYP2C9 (0.49) RIPK1SMYD3TACR3CYP2C9PPARG
SCHEMBL1974356 0.89 PPARG (0.39) RIPK1SMYD3TACR3CYP2C9PPARG
SCHEMBL1973603 0.89 CYP2C9 (0.49) RIPK1SMYD3TACR3CYP2C9PPARG
SCHEMBL1976834 0.87 MEN1 (0.37) CNR2PPARGMEN1KMT2A
SCHEMBL1976048 0.87 CNR2 (0.37) TACR3CNR2CYP2C9KCNK3

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 RIPK1 2095/4885SMYD3 1967/4885TACR3 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.