SCHEMBL7552057

SCHEMBL7552057

c1ccc(-c2nc3cnccc3[nH]2)c(CNCCN2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.41
ACHE P22303 2/20 0.40
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 1/20 0.40
TGFBR1 P36897 1/20 0.40
TGFBR2 P37173 1/20 0.40
KDR P35968 1/20 0.39
APP P05067 2/20 0.38
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATR Q13535 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7553494 0.92 PDE5A (0.45) DPP7ACHECYP2D6CYP1A2TSHR
SCHEMBL7549624 0.88 ACHE (0.51) DPP7ACHECYP2D6CYP1A2TSHR
SCHEMBL7550672 0.83 DPP7 (0.42) DPP7ACHECYP2D6CYP1A2TSHR
SCHEMBL7554529 0.83 HRH4 (0.44) DPP7ACHECYP2D6CYP1A2TSHR
SCHEMBL7546612 0.82 CCR2 (0.51) DPP7ACHECYP2D6CYP1A2TSHR
SCHEMBL7546025 0.81 CYP3A4 (0.46) DPP7ACHECYP2D6CYP3A4KDM4E
SCHEMBL7553609 0.81 ACHE (0.52) DPP7ACHETSHRKDRAPP
SCHEMBL7546715 0.80 PDE5A (0.47) DPP7
SCHEMBL7554505 0.80 MAP4K4 (0.48) DPP7ACHECYP2D6CYP3A4ATR
SCHEMBL7552060 0.76 HRH3 (0.47) ACHETSHRKDM4EUSP2ALDH1A1

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 DPP7 2503/4885ACHE 4652/4885CYP2D6 2355/4885

“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.