SCHEMBL3236376

SCHEMBL3236376

CCCCc1ccc2c(c1)CCC2N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
DRD2 P14416 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
SKP2 Q13309 1/20 0.42
SPHK1 Q9NYA1 2/20 0.40
S1PR3 Q99500 4/20 0.39
STS P08842 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.39
S1PR1 P21453 4/20 0.38
S1PR4 O95977 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL22517096 0.90 HTR2C (0.43) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL14606247 0.83 DRD2 (0.42) DRD2SLC6A2SLC6A4ACHE
SCHEMBL13499147 0.81 OPRD1 (0.47) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL20671934 0.79 ESR1 (0.36) ACHE
SCHEMBL5468373 0.77 SLC6A2 (0.48) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL3531382 0.77 ESR1 (0.41) ACHE
SCHEMBL3531383 0.77 ESR1 (0.41) ACHE
SCHEMBL5691441 0.75 ACHE (0.35) ACHE
SCHEMBL5851730 0.75 ACHE (0.42) ACHE
SCHEMBL16543141 0.74 OPRD1 (0.47) ACHE

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 HTR2A 172/4885DRD2 634/4885SLC6A2 211/4885

“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.