SCHEMBL7549696

SCHEMBL7549696

c1cc(CNCCN2CCCCC2)cc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
DPP7 Q9UHL4 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
AURKB Q96GD4 1/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC6 Q9UBN7 1/20 0.46
PARP1 P09874 2/20 0.46
ATR Q13535 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7554506 0.88 ACHE (0.62) ACHEDPP7KDM4EALDH1A1RAB9A
SCHEMBL7549558 0.88 MAP4K4 (0.48) ACHEDPP7MAP4K4KDM4EALDH1A1
SCHEMBL7547685 0.88 ACHE (0.56) ACHEDPP7MAP4K4KDM4EALDH1A1
SCHEMBL7553583 0.88 MAP4K4 (0.48) ACHEDPP7MAP4K4HDAC6PARP1
SCHEMBL7554505 0.88 MAP4K4 (0.48) ACHEDPP7MAP4K4KDM4EALDH1A1
SCHEMBL7548837 0.87 CCR2 (0.54) ACHEDPP7MAP4K4HDAC6PARP1
SCHEMBL7554493 0.85 MAP4K4 (0.52) ACHEDPP7MAP4K4KDM4EALDH1A1
SCHEMBL7554554 0.85 MAP4K4 (0.48) DPP7MAP4K4PARP1ATRCYP1A2
SCHEMBL7548311 0.80 DPP7 (0.53) ACHEDPP7MAP4K4HDAC6PARP1
SCHEMBL7549624 0.79 ACHE (0.51) ACHEDPP7KDM4EALDH1A1RAB9A

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 4652/4885DPP7 2503/4885MAP4K4 1964/4885

“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.