Sugi Predict

Sugi Predict / Compounds / SCHEMBL1974356

SCHEMBL1974356

SCHEMBL1974356

CCCn1c(C)c(C(=O)N[C@H](c2cccc(Cl)c2)C2CC2)c(C)c(Br)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ TACR3 P29371 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMYD3 Q9H7B4 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MAPT P10636 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
SCHEMBL1973603 0.89 CYP2C9 (0.49) PPARGCYP2C9TACR3RIPK1SMYD3
SCHEMBL1972416 0.89 CYP2C9 (0.49) PPARGCYP2C9TACR3RIPK1SMYD3
SCHEMBL1975592 0.89 WDR91 (0.38) CYP2C9AKT1RIPK1CYP3A4CYP2D6
SCHEMBL1975975 0.89 RIPK1 (0.43) PPARGCYP2C9TACR3RIPK1SMYD3
SCHEMBL1974363 0.86 WDR5 (0.40) CYP2C9AKT1
SCHEMBL1974913 0.86 CYP2C9 (0.46) PPARGCYP2C9TACR3RIPK1SMYD3
SCHEMBL1973915 0.86 PPARG (0.37) PPARGCYP2C9AKT1TACR3RIPK1
SCHEMBL1975472 0.85 SMYD3 (0.41) TACR3RIPK1SMYD3MEN1KMT2A
SCHEMBL1974261 0.85 PPARG (0.41) PPARGCYP2C9TACR3RAB9ACYP3A4
SCHEMBL1974168 0.85 MEN1 (0.42) TACR3RIPK1SMYD3MEN1KMT2A

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 PPARG 1317/4885CYP2C9 2501/4885AKT1 4651/4885

“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.