SCHEMBL866242

SCHEMBL866242

CCc1cc2c(cc1CC)C(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.51
PBRM1 Q86U86 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS2 P35354 2/20 0.40
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 2/20 0.37
GRM5 P41594 1/20 0.37
PTGS1 P23219 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL11810833 0.88 MEN1 (0.52) HSD17B1MEN1MAPK1KMT2ANPSR1
SCHEMBL4812130 0.84 HSD17B1 (0.62) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL4816146 0.81 HSD17B1 (0.54) HSD17B1HSD17B10MEN1KMT2A
SCHEMBL12306065 0.81 PBRM1 (0.47) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL4814802 0.80 HSD17B1 (0.43) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL13956414 0.77 HSD17B1 (0.41) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL4814033 0.75 HSD17B1 (0.42) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL20681358 0.74 MEN1 (0.54) HSD17B1PBRM1CASP1CASP7HSD17B10
SCHEMBL91586 0.74 HSD17B1 (0.55) HSD17B1CASP1CASP7HSD17B10PTGS2
SCHEMBL1512782 0.74 PBRM1 (0.53) HSD17B1PBRM1CASP1CASP7HSD17B10

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369417-B Preparation method of 2-aminoindane derivative 诚达药业股份有限公司 2021-07-06 CN disclosed
US-9040559-B2 BETA2-adrenoceptor agonists NOVARTIS AG (CH) 2015-05-26 US disclosed
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8796307-B2 Beta2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-08-05 US disclosed
US-20140066478-A1 Beta2-Adrenoreceptor Agonists NOVARTIS AG (CH) 2014-03-06 US disclosed
US-8658673-B2 BETA2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-02-25 US disclosed
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS NOVARTIS AG (CH) 2013-09-05 US disclosed
US-8436017-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2332915-B1 Beta2-adrenoceptor agonists NOVARTIS AG (CH) 2013-02-27 EP disclosed
US-20120302531-A1 beta-2-Adrenoreceptor Agonists CUENOUD BERNARD (GB) 2012-11-29 US disclosed
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2005-07-14 US disclosed
US-6878721-B1 N-(partially hydrogenated fused carbocycle)-2-arylethylamine derivatives, e.g., 8-hydroxy-5-(1-hydroxy-2-(indan-2-ylamino)-ethyl)-1H-quinolin-2-one; treatment of obstructive or inflammatory NOVARTIS AG (CH) 2005-04-12 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
CN-1156451-C Betz 2-adrenoceptor agonists ��˹��ŵ�� 2004-07-07 CN disclosed
US-20040038951-A1 Organic compounds NOVARTIS AG (CH) 2004-02-26 US disclosed
EP-1341542-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2003-09-10 EP disclosed
WO-2002045703-A2 MIXTURES OR ORGANIC COMPOUNDS FOR THE TREATMENTOF AIRWAY DISEASES NOVARTIS AG (CH) 2002-06-13 WO disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 EP disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 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 (7 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-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 HSD17B1 1093/4885PBRM1 4125/4885CASP1 3328/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A HSD17B1 1655/4885PBRM1 3575/4885CASP1 3337/4885
US-20040038951-A1 Organic compounds CYP11B2, NR3C2, CYP11B1 HSD17B1 27/4885PBRM1 1006/4885CASP1 337/4885
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 HSD17B1 474/4885PBRM1 4692/4885CASP1 3954/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 HSD17B1 938/4885PBRM1 4177/4885CASP1 3068/4885
US-20050009795-A1 Mixtures or organic compounds for the treatment of airway diseases NR3C2, CYP11B2, NR3C1 HSD17B1 27/4885PBRM1 1822/4885CASP1 811/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 HSD17B1 1060/4885PBRM1 4042/4885CASP1 3139/4885

“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.