Sugi Predict

Sugi Predict / Compounds / SCHEMBL1976296

SCHEMBL1976296

SCHEMBL1976296

CCCNn1c(C)c(C(=O)OC)c(C)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HPGD P15428 3/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HTR1A P08908 1/20 0.32

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
SCHEMBL1976717 0.90 ALDH1A1 (0.44) CYP3A4HPGDALDH1A1KDM4ECASP1
SCHEMBL9947724 0.85 CYP1A2 (0.38) CYP3A4ACHEALDH1A1KDM4EHSD17B10
SCHEMBL5528107 0.73 KDM4E (0.53) CYP3A4ACHEHPGDALDH1A1KDM4E
SCHEMBL1975299 0.73 KMT2A (0.37) HPGDALDH1A1KDM4EHSD17B10MEN1
SCHEMBL9947675 0.73 LDHA (0.38) CYP3A4ACHEALDH1A1KDM4ECYP1A2
SCHEMBL1977698 0.72 CYP3A4 (0.46) CYP3A4ACHEHPGDALDH1A1KDM4E
SCHEMBL11465593 0.65 HPGD (0.50) CYP3A4HPGDALDH1A1KDM4EHSD17B10
SCHEMBL1977208 0.65 ALDH1A1 (0.48) CYP3A4HPGDALDH1A1KDM4EHSD17B10
SCHEMBL1976040 0.64 KMT2A (0.42) HPGDALDH1A1KDM4ECASP1HSD17B10
SCHEMBL1974854 0.64 ALDH1A1 (0.50) CYP3A4HPGDALDH1A1KDM4ECASP1

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
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 — — EP disclosed
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
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 CYP3A4 859/4885ACHE 1214/4885HPGD 487/4885

“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.