SCHEMBL435242

SCHEMBL435242

CCN1C(=O)CCc2cc(C)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.69
CYP1A2 P05177 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
SRD5A1 P18405 6/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.44
NOTUM Q6P988 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL5539818 0.87 ATAD2 (0.54) ATAD2CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL10129853 0.87 ATAD2 (0.56) ATAD2CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL399175 0.85 BRD4 (0.56) ATAD2CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL5544599 0.84 DRD2 (0.58) ATAD2CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL5542111 0.83 DRD2 (0.53) ATAD2CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL8005017 0.83 ATAD2 (0.49) ATAD2CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL5537272 0.82 DRD2 (0.52) ATAD2SRD5A1ALDH1A1MAPTGRIN1
SCHEMBL1119384 0.82 ATAD2 (0.68) ATAD2CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL8138675 0.82 ATAD2 (1.00) ATAD2CYP1A2CYP11B1CYP11B2SRD5A1
SCHEMBL5534846 0.82 ATAD2 (0.68) ATAD2CYP1A2CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0003532-B1 OMEGA-(2-(N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS, THEIR USE AND PREPARATION, AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-04-28 EP disclosed
US-4322439-A ω-[2-(N-Lower alkyl-benzamido)-phenyl]-alkanoic acids, their use, and medicaments containing them BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-30 US disclosed
WO-1979000586-A1 W-(2-N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS,THEIR USE AND PREPARATION,AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1979-08-23 WO disclosed
EP-0003532-A1 Omega-(2-(N-lower alkyl-benzamido)-phenyl)-alkanoic acids, their use and preparation, and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-08-22 EP 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ATAD2 1255/4885CYP1A2 659/4885CYP11B1 514/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH ATAD2 2486/4885CYP1A2 176/4885CYP11B1 7/4885

“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.