SCHEMBL3265836

SCHEMBL3265836

NC1CC2C(=O)N(CC3CCCCC3)C(=O)[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
CYP1B1 Q16678 2/20 0.38
TRPA1 O75762 2/20 0.36
OPRL1 P41146 1/20 0.36
CHRM5 P08912 2/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MMP1 P03956 4/20 0.34
MMP9 P14780 3/20 0.34
MMP7 P09237 2/20 0.34
MMP3 P08254 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
SCHEMBL13291893 0.82 ACHE (0.43) CYP19A1CYP1B1TRPA1CHRM5ADRA2C
SCHEMBL17532450 0.77 ALDH1A1 (0.46) CYP19A1CYP1B1TRPA1TDP1ALDH1A1
SCHEMBL14672025 0.73 ALDH1A1 (0.44) CYP19A1ADRA2CCHRM2ALDH1A1
SCHEMBL14672055 0.73 ALDH1A1 (0.44) CYP19A1ADRA2CCHRM2ALDH1A1
SCHEMBL18751917 0.73 ALDH1A1 (0.44) CYP19A1ADRA2CCHRM2ALDH1A1
SCHEMBL7490225 0.70 ACHE (0.39) BACE1ALDH1A1
SCHEMBL13078196 0.70 POLB (0.59) TDP1ALDH1A1
SCHEMBL8315308 0.69 CYP1B1 (0.48) CYP19A1CYP1B1TRPA1OPRL1CHRM5
SCHEMBL19091274 0.69 CHRM5 (0.43) CYP19A1CYP1B1TRPA1OPRL1CHRM5
SCHEMBL19176752 0.67 CYP1B1 (0.45) CYP19A1CYP1B1TRPA1OPRL1CHRM5

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 CYP19A1 2849/4885CYP1B1 638/4885TRPA1 611/4885

“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.