SCHEMBL3677581

SCHEMBL3677581

CCc1cc2c(cc1CC)CC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2A6 P11509 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B1 P14061 1/20 0.30

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
SCHEMBL16140056 0.75 GRIA1 (0.41) CYP1A2
SCHEMBL6584788 0.72 CYP1A2 (0.46) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20282202 0.72 NOS3 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7175506 0.70 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29406232 0.70 FYN (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL614525 0.70 FYN (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13072957 0.70 FYN (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3205225 0.69 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7623499 0.69 CYP1A2 (0.48) CYP1A2CYP2A6CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL866127 0.69 FYN (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068288-A1 MIXTURES OR ORGANIC COMPOUNDS FOR THE TREATMENT OF AIRWAY DISEASES CUENOUD BERNARD 2010-03-18 US disclosed
US-7622484-B2 Mixtures or organic compounds for the treatment of airway diseases NOVARTIS AG (CH) 2009-11-24 US disclosed
EP-1341542-B1 Indanylderivatives for treating airway diseases NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060052352-A1 Mixtures or organic compounds for the treatment of airway diseases NOVARTIS AG (CH) 2006-03-09 US disclosed
US-7008951-B2 Mixtures or organic compounds for the treatment of airway diseases NOVARTIS AG (CH) 2006-03-07 US disclosed
US-20050009795-A1 Mixtures or organic compounds for the treatment of airway diseases CUENOUD BERNARD (CH) 2005-01-13 US disclosed
US-6800643-B2 CORTICOSTEROID AND AN INDANYL-QUINOLINONE COMPOUND NOVARTIS AG (CH) 2004-10-05 US disclosed
US-20040038951-A1 Organic compounds NOVARTIS AG (CH) 2004-02-26 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 (4 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-20060052352-A1 Mixtures or organic compounds for the treatment of airway diseases NR3C2, CYP11B2, NR3C1 CYP1A2 470/4885GRIN2D 3670/4885GRIN3B 2128/4885
US-20040038951-A1 Organic compounds CYP11B2, NR3C2, CYP11B1 CYP1A2 196/4885GRIN2D 3080/4885GRIN3B 1679/4885
US-20100068288-A1 MIXTURES OR ORGANIC COMPOUNDS FOR THE TREATMENT OF AIRWAY DISEASES NR3C2, CYP11B2, NR3C1 CYP1A2 470/4885GRIN2D 3670/4885GRIN3B 2128/4885
US-20050009795-A1 Mixtures or organic compounds for the treatment of airway diseases NR3C2, CYP11B2, NR3C1 CYP1A2 470/4885GRIN2D 3670/4885GRIN3B 2128/4885

“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.