SCHEMBL7549560

SCHEMBL7549560

CN(CCN1CCCCC1)c1cccc(-c2nc3ccncc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.56
AURKA O14965 2/20 0.48
NPY5R Q15761 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
ACHE P22303 6/20 0.41
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GRIN2B Q13224 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
PDE5A O76074 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL7554509 0.92 CCR2 (0.56) CCR2AURKANPY5RALDH1A1KDM4E
SCHEMBL7553600 0.89 CCR2 (0.68) CCR2AURKANPY5RALDH1A1KDM4E
SCHEMBL7549699 0.88 CCR2 (0.60) CCR2ALDH1A1KDM4EHPGDACHE
SCHEMBL7554047 0.85 CCR2 (0.43) CCR2AURKANPY5RALDH1A1KDM4E
SCHEMBL7547688 0.84 CCR2 (0.64) CCR2ALDH1A1KDM4EHPGDACHE
SCHEMBL7554497 0.84 CCR2 (0.54) CCR2AURKAACHEHRH3CYP1A2
SCHEMBL7159244 0.83 CCR2 (0.51) CCR2AURKANPY5RACHEHRH3
SCHEMBL7548839 0.83 CCR2 (0.81) CCR2ALDH1A1KDM4EHPGDACHE
SCHEMBL7160102 0.82 CCR2 (0.52) CCR2ACHEHRH3CYP1A2CYP2D6
SCHEMBL7553586 0.82 CCR2 (0.64) CCR2ALDH1A1KDM4EHPGDACHE

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 4675/4885NPY5R 649/4885

“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.