SCHEMBL7546111

SCHEMBL7546111

CCN(CC)CCN(CCN1CCCCC1)c1ccccc1-c1nc2cccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 2/20 0.35
NSD2 O96028 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7553017 0.88 KDM4E (0.41) KDM4EALDH1A1GAANPSR1USP2
SCHEMBL7153453 0.87 HRH3 (0.36) HRH3KDM4EALDH1A1GAANPSR1
SCHEMBL7550047 0.87 ACHE (0.46) HRH3KDM4EALDH1A1GAANPSR1
SCHEMBL7159177 0.85 PDE5A (0.45) HRH3
SCHEMBL7550676 0.84 HRH3 (0.54) HRH3KDM4EALDH1A1GAANPSR1
SCHEMBL7157044 0.84 HRH3 (0.39) HRH3KDM4EALDH1A1GAANPSR1
SCHEMBL7548763 0.84 PDE5A (0.43) HRH3KDM4EALDH1A1GAANPSR1
SCHEMBL7550508 0.84 CCR2 (0.45) HRH3KDM4EALDH1A1GAANPSR1
SCHEMBL7550216 0.82 CCR2 (0.41) HRH3ALDH1A1GAANPSR1ACHE
SCHEMBL7549975 0.81 CCR2 (0.55) HRH3KDM4EALDH1A1HPGDHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 HRH3 165/4885KDM4E 2846/4885ALDH1A1 2817/4885

“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.