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SCHEMBL1974846

SCHEMBL1974846

Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C(F)(F)F)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.46
▸ TACR3 P29371 10/20 0.45
▸ RIPK1 Q13546 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
▸ SMYD3 Q9H7B4 1/20 0.36
▸ TOP2A P11388 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ PDE2A O00408 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
SCHEMBL1974138 0.91 CYP2C9 (0.47) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL1973293 0.90 CYP2C9 (0.51) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL1975321 0.87 CYP2C9 (0.46) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL1973637 0.85 CYP2C9 (0.45) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL1975366 0.85 CYP2C9 (0.53) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL1976022 0.85 CYP2C9 (0.49) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL1975594 0.85 CYP2C9 (0.52) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL1975827 0.84 CYP2C9 (0.51) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL12631700 0.83 RIPK1 (0.40) CYP2C9TACR3RIPK1MEN1ALDH1A1
SCHEMBL1973905 0.82 CYP2C9 (0.51) CYP2C9TACR3RIPK1MEN1ALDH1A1

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 26/4885RIPK1 2095/4885

“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.