SCHEMBL3574672

SCHEMBL3574672

CN(C)CCCn1c(N)nc2ccc(OCCCN3CCCCC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.52
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
TLR9 Q9NR96 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
SLC6A4 P31645 5/20 0.45
HTR3A P46098 2/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL10025467 0.88 TLR8 (0.48) TLR7
SCHEMBL30886384 0.88 TLR8 (0.48) TLR7
SCHEMBL23102167 0.87 TLR8 (0.47) TLR7
SCHEMBL3498559 0.86 NPC1 (0.45) HRH3NPC1TSHRRAB9AACHE
SCHEMBL3499273 0.84 TLR7 (0.50) HRH3TLR7
SCHEMBL3503268 0.84 ACSS2 (0.47) TSHRSLC6A4
SCHEMBL10025563 0.81 NPC1 (0.42) HRH3NPC1TSHRRAB9ATLR9
SCHEMBL3498283 0.80 TLR8 (0.49)
SCHEMBL3498232 0.80 NPC1 (0.42) HRH3NPC1TSHRRAB9ATLR9
SCHEMBL3631276 0.77 DRD2 (0.42) HRH3NPC1TSHRRAB9AACHE

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-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

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-20050165007-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.