SCHEMBL3240889

SCHEMBL3240889

COC(=O)[C@H]1CC2(C[C@H]1C(=O)OC)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.40
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 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
SCHEMBL31081963 1.00 MMP2 (0.40) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL26136436 1.00 MMP2 (0.40) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL3240900 0.93 MMP2 (0.40) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL31082046 0.93 MMP2 (0.40) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL16618180 0.87 MMP2 (0.36) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL16618179 0.87 MMP2 (0.36) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL16820690 0.83 MMP2 (0.40) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL16617927 0.83 MMP2 (0.37) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL18010285 0.83 MMP2 (0.37) MMP2MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL1651723 0.80 CHRNB2 (0.40) MMP2MEN1ALDH1A1CYP2C19KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
EP-1613315-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES Novartis AG (CH) 2006-01-11 EP disclosed
WO-2004087142-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2004-10-14 WO 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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 MMP2 4054/4885MEN1 2971/4885ALDH1A1 1413/4885

“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.