SCHEMBL3056002

SCHEMBL3056002

NCCc1ccc2c(c1)CCNC2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.58
ASIC3 Q9UHC3 2/20 0.51
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
PNMT P11086 6/20 0.46
CD44 P16070 1/20 0.46
MAOB P27338 1/20 0.46
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43

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
SCHEMBL3122998 0.86 PLAU (0.55) PLAUASIC3DRD2DRD3PNMT
SCHEMBL5811572 0.86 ASIC3 (0.55) PLAUASIC3DRD2DRD3PNMT
Hydrochloric Acid SCHEMBL3668552 0.84 ASIC3 (0.53) PLAUASIC3DRD2DRD3PNMT
SCHEMBL18774013 0.83 PLAU (0.55) PLAUASIC3DRD2DRD3PNMT
SCHEMBL14614989 0.80 PLAU (0.49) PLAUASIC3DRD2DRD3PNMT
SCHEMBL19643276 0.79 DRD2 (0.57) PLAUASIC3DRD2DRD3PNMT
SCHEMBL15331560 0.79 PLAU (0.51) PLAUASIC3DRD2DRD3PNMT
SCHEMBL31680156 0.79 DRD2 (0.57) PLAUASIC3DRD2DRD3PNMT
SCHEMBL1696305 0.79 ASIC3 (0.55) PLAUASIC3DRD2DRD3PNMT
SCHEMBL22542122 0.79 ASIC3 (0.55) PLAUASIC3DRD2DRD3PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 EP 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 (4 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 PLAU 886/4885ASIC3 1170/4885DRD2 2712/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 PLAU 886/4885ASIC3 1170/4885DRD2 2712/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 PLAU 780/4885ASIC3 1111/4885DRD2 3099/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 PLAU 4292/4885ASIC3 1085/4885DRD2 278/4885

“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.