SCHEMBL17447752

SCHEMBL17447752

CC(C)(C)OC(=O)N1CCN(Cc2cc(N)nc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
GBA1 P04062 2/20 0.50
NCF1 P14598 2/20 0.50
ADAM17 P78536 1/20 0.45
NSD2 O96028 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
IDO2 Q6ZQW0 1/20 0.45
TBK1 Q9UHD2 1/20 0.44
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
KIT P10721 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
DTYMK P23919 1/20 0.43
CKS1B P61024 1/20 0.43

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
SCHEMBL12704686 0.86 CA12 (0.44) CHRM2CHRM4CHRM1CHRM3ADAM17
SCHEMBL17826997 0.86 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3GBA1
SCHEMBL17434260 0.84 NCF1 (0.52) NCF1
SCHEMBL24696026 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3GBA1
SCHEMBL16855926 0.82 FAAH (0.60) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL3709871 0.81 FAAH (0.60) CHRM2CHRM4CHRM1CHRM3GBA1
SCHEMBL30422174 0.79 ACHE (0.60) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL23293544 0.79 ACHE (0.60) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL16830462 0.79 ACHE (0.60) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL30958238 0.79 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3GBA1

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
EP-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP disclosed
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
EP-2975037-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-20 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 (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-20160024060-A1 BENZOTHIOPHENE DERIVATIVE PDE10A, PDE5A, PDE3B CHRM2 3981/4885CHRM4 4212/4885CHRM1 3988/4885

“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.