SCHEMBL7546028

SCHEMBL7546028

CN(CCN1CCCCC1)c1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.68
AURKA O14965 1/20 0.48
ACHE P22303 7/20 0.46
HRH3 Q9Y5N1 2/20 0.39
CHEK2 O96017 2/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 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
SCHEMBL7553600 0.92 CCR2 (0.68) CCR2AURKAACHEHRH3CHEK2
SCHEMBL7554509 0.89 CCR2 (0.56) CCR2AURKAACHEHRH3ALDH1A1
SCHEMBL7554508 0.86 CCR2 (0.72) CCR2ACHEHRH3DRD3ALDH1A1
SCHEMBL7546108 0.84 CCR2 (0.49) CCR2AURKAACHECHEK2DRD3
SCHEMBL7156694 0.82 CCR2 (0.61) CCR2ACHEHRH3CHEK2ESR1
SCHEMBL7546720 0.82 CCR2 (0.79) CCR2ACHECHEK2DRD3CHRM1
SCHEMBL7549399 0.82 CCR2 (0.79) CCR2ACHECHEK2ALDH1A1
SCHEMBL7553543 0.82 CCR2 (0.79) CCR2ACHEHRH3CHEK2DRD3
SCHEMBL7552060 0.81 HRH3 (0.47) CCR2ACHEHRH3ALDH1A1KDM4E
SCHEMBL7549559 0.81 CCR2 (0.62) CCR2AURKAACHEHRH3DRD3

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 CCR2 2/4885AURKA 4675/4885ACHE 4652/4885

“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.