SCHEMBL10025533

SCHEMBL10025533

CN(C)CC1CNc2nc3ccc(OCCCNC4CCN(Cc5ccccc5)CC4)cc3n2C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.49
BCHE P06276 4/20 0.44
ACHE P22303 4/20 0.44
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL10025534 0.96 MAOB (0.45) MAOBBCHEACHEPDE3BPDE3A
SCHEMBL3497864 0.77 HRH3 (0.44) MAOBPDE3BPDE3A
SCHEMBL13541777 0.76 PDE3B (0.36) PDE3BPDE3A
SCHEMBL10025565 0.73 UTS2R (0.50) MAOBBCHEACHEUTS2R
SCHEMBL6743257 0.72 PPARG (0.32) ACHEPDE3BPDE3A
SCHEMBL10025536 0.71 HRH3 (0.43) ACHEPDE3BPDE3A
SCHEMBL10025543 0.69 TLR7 (0.34) PDE3BPDE3A
SCHEMBL10058198 0.65 SLC6A2 (0.60) MAOBBCHEACHESLC6A2SLC6A4
SCHEMBL13541823 0.64 SLC6A2 (0.65) MAOBBCHEACHESLC6A2SLC6A4
SCHEMBL10025523 0.64 SLC6A2 (0.58) MAOBBCHEACHESLC6A2SLC6A4

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 6 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-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

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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L MAOB 1784/4885BCHE 4032/4885ACHE 3798/4885

“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.