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Sugi Predict / Compounds / SCHEMBL1978628

SCHEMBL1978628

SCHEMBL1978628

CCNn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)c(Br)c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.46
▸ TACR3 P29371 10/20 0.42
▸ OPRL1 P41146 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ABHD12 Q8N2K0 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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 0.93 CYP2C9 (0.45) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL1973908 0.90 CYP2C9 (0.48) CYP2C9TACR3SMYD3PPARGRIPK1
SCHEMBL1974913 0.86 CYP2C9 (0.46) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL1979946 0.85 CYP2C9 (0.46) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL11917791 0.85 CYP2C9 (0.47) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL11917794 0.85 CYP2C9 (0.47) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL7942563 0.85 CYP2C9 (0.47) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL16566393 0.85 CYP2C9 (0.47) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL11917787 0.85 CYP2C9 (0.47) CYP2C9TACR3OPRL1MEN1KMT2A
SCHEMBL1973293 0.83 CYP2C9 (0.51) CYP2C9TACR3MEN1KMT2AALDH1A1

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 26/4885OPRL1 821/4885

“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.