SCHEMBL17433976

SCHEMBL17433976

CN1CCN(Cc2cc(N)nc3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.62
HTR3A P46098 3/20 0.51
HRH4 Q9H3N8 2/20 0.50
HTR6 P50406 2/20 0.49
MC4R P32245 1/20 0.49
BACE1 P56817 1/20 0.47
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
SLC2A1 P11166 1/20 0.44

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
SCHEMBL17433848 0.87 NCF1 (0.57) NCF1BACE1CHRNA7KMT2A
SCHEMBL4731923 0.83 NCF1 (0.62) NCF1KMT2A
SCHEMBL17434077 0.83 NCF1 (0.62) NCF1HTR6BACE1
SCHEMBL17434260 0.82 NCF1 (0.52) NCF1
SCHEMBL20880387 0.82 HRH4 (0.54) NCF1HRH4HTR6BACE1
SCHEMBL17434156 0.82 NCF1 (0.47) NCF1BACE1KMT2AADORA2AADORA1
SCHEMBL17433855 0.81 MAPT (0.45) NCF1BACE1ADORA2AADORA1
SCHEMBL17447752 0.77 CHRM2 (0.51) NCF1
SCHEMBL17433982 0.77 BACE1 (0.44) NCF1BACE1
SCHEMBL17434433 0.77 NCF1 (0.44) NCF1BACE1ADORA2AADORA1

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-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
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 NCF1 2031/4885HTR3A 1798/4885HRH4 3604/4885

“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.