SCHEMBL3631276

SCHEMBL3631276

CCN(CCCOc1ccc2nc(N)n(CCCN3CCCC3)c2c1)Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
KCNA5 P22460 1/20 0.39
ACHE P22303 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MET P08581 1/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 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
SCHEMBL3498232 0.90 NPC1 (0.42) DRD2DRD3ACHENPC1TSHR
Ammonia Solution, Strong SCHEMBL3631279 0.84 TGFBR1 (0.46) KCNA5ACHEHRH3MET
SCHEMBL10025562 0.79 HRH3 (0.42) TSHRHRH3
SCHEMBL3574672 0.77 HRH3 (0.52) ACHENPC1TSHRRAB9AHRH3
SCHEMBL10025563 0.75 NPC1 (0.42) DRD2DRD3ACHENPC1TSHR
SCHEMBL10058262 0.75 TLR8 (0.36) DRD2DRD3KCNA5TSHR
SCHEMBL30886384 0.71 TLR8 (0.48) DRD2DRD3
SCHEMBL10025467 0.71 TLR8 (0.48) DRD2DRD3
SCHEMBL5075071 0.71 HRH3 (0.56) HRH3
SCHEMBL6651078 0.68 HRH3 (0.46) DRD2DRD3ACHEHRH3

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 DRD2 2179/4885DRD3 1322/4885KCNA5 2007/4885

“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.