SCHEMBL7070091

SCHEMBL7070091

CC(c1nc2cc(-n3ccnc3)ccc2[nH]1)c1nc2ccc(C(=O)NCCOc3ccccc3C(=O)O)cc2n1CCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.37
DRD2 P14416 5/20 0.37
F9 P00740 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NAMPT P43490 6/20 0.33
ACSS2 Q9NR19 3/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7071842 0.93 DRD3 (0.42) DRD3DRD2ADRB2ADRB1ADRB3
SCHEMBL7074538 0.92 ACSS2 (0.40) DRD3DRD2F9ADRB2ADRB1
SCHEMBL7074837 0.90 ACSS2 (0.39) DRD3DRD2F9ADRB2ADRB1
SCHEMBL7070332 0.90 DRD2 (0.38) DRD3DRD2F9ADRB2ADRB1
SCHEMBL7069822 0.87 ACSS2 (0.34) F9ACSS2HPGD
SCHEMBL7072226 0.86 ADRB2 (0.42) DRD3DRD2F9ADRB2ADRB1
SCHEMBL7067795 0.84 F9 (0.37) DRD3DRD2F9ADRB2ADRB1
SCHEMBL7069733 0.83 DRD2 (0.37) DRD3DRD2F9ADRB2ADRB1
SCHEMBL7068172 0.83 ACSS2 (0.41) DRD3DRD2F9ADRB2ADRB1
SCHEMBL7072070 0.83 DRD2 (0.36) DRD3DRD2F9ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 DRD3 3527/4885DRD2 4438/4885F9 2202/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 DRD3 2354/4885DRD2 3490/4885F9 3853/4885

“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.