SCHEMBL7623478

SCHEMBL7623478

CN(C)CCN(CCN(C)C)C(=O)/C=C/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.49
GABRB2 P47870 4/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
CYP3A4 P08684 1/20 0.47
PYGL P06737 11/20 0.45
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL7623481 1.00 GABRA1 (0.49) GABRA1GABRB2GABRG2GABRB3GABRA3
SCHEMBL11279073 0.77 NPC1 (0.59) PYGLITGB2ICAM1ITGALSIGMAR1
SCHEMBL11279078 0.77 NPC1 (0.59) PYGLITGB2ICAM1ITGALSIGMAR1
SCHEMBL7622126 0.74 CYP1A2 (0.54) PYGLITGB2ICAM1ITGALPTGS2
SCHEMBL7622123 0.74 CYP1A2 (0.54) PYGLITGB2ICAM1ITGALPTGS2
SCHEMBL11464283 0.71 ALDH1A1 (0.58) PYGLPTGS2
SCHEMBL12488307 0.70 GABRA1 (0.64) GABRA1GABRB2GABRG2GABRB3GABRA3
SCHEMBL9029541 0.70 SIGMAR1 (0.47) PYGLSIGMAR1PTGS2
SCHEMBL9029549 0.70 SIGMAR1 (0.47) PYGLSIGMAR1PTGS2
SCHEMBL9029533 0.70 SIGMAR1 (0.47) PYGLSIGMAR1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458806-B1 ANTIINFLAMMATORY AND -ARTHRITIC AGENTS, ATHEROSCLEROSIS, RESTENOSIS; TRANSPLANT REJECTION; INFLAMMATORY BOWEL DISEASES, CROHN'S DISEASE, ANTIALLERGENS; IMMUNE, SKIN GASTROINTESTINAL AND RESPIRATORY SYSTEM DIORDERS MILLENNIUM PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-20020028833-A1 ARYL ALKENAMIDES DERIVATIVES AS MCP-1 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. 2002-03-07 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-20020028833-A1 ARYL ALKENAMIDES DERIVATIVES AS MCP-1 ANTAGONISTS CCR2, CCR1, MSR1 GABRA1 1395/4885GABRB2 1730/4885GABRG2 2763/4885

“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.