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SCHEMBL1975592

SCHEMBL1975592

CCCn1c(C)c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c(C)c(Br)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR91 A4D1P6 2/20 0.38
▸ GPR139 Q6DWJ6 1/20 0.38
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ TSHR P16473 4/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PDE2A O00408 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PRCP P42785 4/20 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
SCHEMBL1977897 0.90 TACR3 (0.38) CYP2C9PDE2ARIPK1
SCHEMBL1975975 0.90 RIPK1 (0.43) CYP2C9MEN1KMT2ARIPK1MAPK1
SCHEMBL1974356 0.89 PPARG (0.39) CYP3A4CYP2C9CYP2C19CYP2D6MAPT
SCHEMBL1974363 0.88 WDR5 (0.40) CYP2C9PDE2AAKT1
SCHEMBL1976048 0.87 CNR2 (0.37) CYP2C9PDE2A
SCHEMBL1975472 0.86 SMYD3 (0.41) MEN1KMT2ARIPK1MAPK1ALDH1A1
SCHEMBL1974168 0.86 MEN1 (0.42) MEN1KMT2ARIPK1MAPK1ALDH1A1
SCHEMBL1973919 0.86 MEN1 (0.42) MEN1KMT2ARIPK1MAPK1ALDH1A1
SCHEMBL1976834 0.85 MEN1 (0.37) MAPTMEN1KMT2ATP53POLB
SCHEMBL1976362 0.85 WDR91 (0.37) WDR91GPR139CYP1A2CYP3A4CYP2C9

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 WDR91 3607/4885GPR139 3045/4885CYP1A2 1044/4885

“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.