SCHEMBL7553497

SCHEMBL7553497

CN(CCN1CCCCC1)c1ccccc1-c1nc2ccncc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
PDE5A O76074 4/20 0.47
CCR2 P41597 1/20 0.46
AURKA O14965 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
ACHE P22303 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
NPY5R Q15761 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7552060 0.92 HRH3 (0.47) HRH3PDE5ACCR2ACHEKDM4E
SCHEMBL7549627 0.88 HRH3 (0.52) HRH3CCR2ACHEKDM4EALDH1A1
SCHEMBL7548763 0.85 PDE5A (0.43) HRH3PDE5ACCR2AURKAMETAP2
SCHEMBL7156999 0.83 HRH3 (0.44) HRH3PDE5ACCR2METAP2METAP1
SCHEMBL7553615 0.83 CCR2 (0.54) HRH3CCR2METAP2METAP1ACHE
SCHEMBL7550676 0.82 HRH3 (0.54) HRH3CCR2ACHEKDM4EALDH1A1
SCHEMBL7546613 0.82 CCR2 (0.68) HRH3CCR2ACHEKDM4EALDH1A1
SCHEMBL7553600 0.81 CCR2 (0.68) HRH3CCR2AURKAACHENPY5R
SCHEMBL7554532 0.81 CCR2 (0.54) HRH3CCR2ACHEKDM4E
SCHEMBL7549560 0.81 CCR2 (0.56) HRH3PDE5ACCR2AURKAMETAP2

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 165/4885PDE5A 3671/4885CCR2 2/4885

“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.