SCHEMBL10059137

SCHEMBL10059137

CN(C)CC1CNc2nc3ccc(OCCCO)cc3n2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.39
PDE3B Q13370 9/20 0.38
PDE3A Q14432 9/20 0.38
MAPKAPK2 P49137 1/20 0.36
PDE2A O00408 9/20 0.35
P2RY12 Q9H244 7/20 0.35
PDE10A Q9Y233 2/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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 0.91 FGFR1 (0.39) PDE3BPDE3AMAPKAPK2KDM4E
SCHEMBL13541777 0.86 PDE3B (0.36) PDE3BPDE3AMAPKAPK2PDE2AP2RY12
SCHEMBL10025543 0.84 TLR7 (0.34) PDE3BPDE3AMAPKAPK2
SCHEMBL10025535 0.82 KCNA5 (0.35) PDE3BPDE3AKDM4E
SCHEMBL3497864 0.81 HRH3 (0.44) PDE3BPDE3A
SCHEMBL6743257 0.81 PPARG (0.32) PDE3BPDE3AMAPKAPK2KDM4E
SCHEMBL10025541 0.81 ATM (0.39) PDE3BPDE3AKDM4ETSHR
SCHEMBL10025539 0.81 PPARG (0.33) PDE3BPDE3AP2RY12KDM4E
SCHEMBL10025536 0.78 HRH3 (0.43) PDE3BPDE3ATSHR
SCHEMBL10025537 0.70 NPC1 (0.35) PDE3BPDE3ASLC6A4TSHR

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 2 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 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 ACSS2 2477/4885PDE3B 2301/4885PDE3A 2534/4885

“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.