SCHEMBL10025534

SCHEMBL10025534

CN(C)CC1CNc2nc3ccc(OCCCN[C@@H]4CCN(Cc5ccccc5)C4)cc3n2C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.45
UTS2R Q9UKP6 4/20 0.43
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
ROCK2 O75116 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM1A O60341 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL10025533 0.96 MAOB (0.49) MAOBUTS2RBCHEACHEPDE3B
SCHEMBL10025565 0.77 UTS2R (0.50) MAOBUTS2RBCHEACHEROCK2
SCHEMBL3497864 0.76 HRH3 (0.44) MAOBPDE3BPDE3A
SCHEMBL13541777 0.74 PDE3B (0.36) PDE3BPDE3A
SCHEMBL6743257 0.73 PPARG (0.32) ACHEPDE3BPDE3A
SCHEMBL10025536 0.70 HRH3 (0.43) ACHEPDE3BPDE3A
SCHEMBL10025543 0.70 TLR7 (0.34) PDE3BPDE3A
SCHEMBL10059136 0.67 BCHE (0.61) BCHEACHEBACE1
SCHEMBL13541815 0.66 BACE1 (0.61) BCHEACHEBACE1
SCHEMBL10025507 0.66 BCHE (0.59) BCHEACHEBACE1

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 1784/4885UTS2R 1869/4885BCHE 4032/4885

“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.