SCHEMBL7554544

SCHEMBL7554544

CCN(CC)CCN(CCN1CCCCC1)c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.49
CCR2 P41597 1/20 0.46
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD3 P35462 1/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRIN2B Q13224 1/20 0.41
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL7550103 0.90 ACHE (0.56) ACHECCR2RAB9AKDM4EALDH1A1
SCHEMBL7554047 0.89 CCR2 (0.43) ACHECCR2NPC1RAB9AKDM4E
SCHEMBL7547138 0.89 CCR2 (0.43) ACHECCR2NPC1RAB9AKDM4E
SCHEMBL7550750 0.89 CCR2 (0.49) ACHECCR2DRD3CYP1A2CYP2D6
SCHEMBL7549629 0.89 ACHE (0.52) ACHECCR2NPC1RAB9AKDM4E
SCHEMBL7546998 0.88 CCR2 (0.62) ACHECCR2KDM4EALDH1A1HPGD
SCHEMBL7554475 0.88 SMN1; SMN2 (0.52) ACHENPC1RAB9AKDM4EALDH1A1
SCHEMBL7550216 0.87 CCR2 (0.41) ACHECCR2ALDH1A1SMN1; SMN2HTT
SCHEMBL7551890 0.86 AURKA (0.53) ACHECCR2CYP1A2CYP2D6GRIN2B
SCHEMBL7549699 0.84 CCR2 (0.60) ACHECCR2NPC1RAB9AKDM4E

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 ACHE 4652/4885CCR2 2/4885NPC1 385/4885

“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.