SCHEMBL10025536

SCHEMBL10025536

CN(C)CCCOc1ccc2nc3n(c2c1)CC(CN1CCCCC1)CN3

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
PDE3B Q13370 6/20 0.39
PDE3A Q14432 6/20 0.39
HRH1 P35367 1/20 0.37
ACHE P22303 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL10025537 0.87 NPC1 (0.35) HRH3NPC1TSHRRAB9APDE3B
SCHEMBL10025466 0.87 FGFR1 (0.39) HRH3PDE3BPDE3AFGFR1SRC
SCHEMBL10025538 0.86 ATM (0.37) HRH3NPC1TSHRRAB9APDE3B
SCHEMBL3497864 0.78 HRH3 (0.44) HRH3PDE3BPDE3A
SCHEMBL10025535 0.75 KCNA5 (0.35) HRH3PDE3BPDE3AHRH1ACHE
SCHEMBL13541777 0.74 PDE3B (0.36) HRH3PDE3BPDE3A
SCHEMBL10025544 0.74 MAPKAPK2 (0.38) HRH3PDE3BPDE3AHRH1ACHE
SCHEMBL6743257 0.74 PPARG (0.32) HRH3PDE3BPDE3AACHEFGFR1
SCHEMBL10025539 0.74 PPARG (0.33) PDE3BPDE3AACHEFGFR1SRC
SCHEMBL10025541 0.74 ATM (0.39) TSHRPDE3BPDE3AHRH1FGFR1

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 HRH3 1057/4885NPC1 666/4885TSHR 2805/4885

“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.