SCHEMBL3497864

SCHEMBL3497864

CN(C)CC1CNc2nc3ccc(OCCCN4CCC(N5CCCC5)CC4)cc3n2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
CYP2D6 P10635 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL10025466 0.82 FGFR1 (0.39) HRH3MAOACYP3A4CYP2C9TLR7
SCHEMBL13541777 0.78 PDE3B (0.36) HRH3PDE3BPDE3A
SCHEMBL10025536 0.78 HRH3 (0.43) HRH3PDE3BPDE3A
SCHEMBL10025534 0.76 MAOB (0.45) MAOBPDE3BPDE3A
SCHEMBL10025540 0.75 PDE3B (0.33) HRH3MAOBCYP3A4TLR7CYP2D6
SCHEMBL10025539 0.75 PPARG (0.33) TLR7PDE3BPDE3A
SCHEMBL10025535 0.74 KCNA5 (0.35) HRH3CYP3A4TLR7CYP2D6PDE3B
SCHEMBL6743257 0.74 PPARG (0.32) HRH3TLR7PDE3BPDE3A
SCHEMBL10025541 0.73 ATM (0.39) MAOACYP3A4TLR7CYP2D6PDE3B
SCHEMBL10025545 0.73 HTR6 (0.31) TLR7PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2005-07-28 US disclosed
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. 2005-06-09 US disclosed
WO-2004050035-A2 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2004-06-17 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 (3 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-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L HRH3 1057/4885MAOA 2773/4885MAOB 1784/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L HRH3 1057/4885MAOA 2773/4885MAOB 1784/4885
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L HRH3 1057/4885MAOA 2773/4885MAOB 1784/4885

“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.