Sugi Predict

Sugi Predict / Compounds / SCHEMBL7069733

SCHEMBL7069733

SCHEMBL7069733

CC(C)OC(=O)c1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4cc(-n5ccnc5)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ HPGD P15428 3/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ F9 P00740 1/20 0.35
▸ TPSAB1 Q15661 3/20 0.35
▸ TPSD1 Q9BZJ3 3/20 0.35
▸ TPSG1 Q9NRR2 3/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ACSS2 Q9NR19 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
SCHEMBL7070332 0.93 DRD2 (0.38) DRD2DRD3HPGDADRB2ADRB1
SCHEMBL7071895 0.93 DRD3 (0.38) DRD2DRD3HPGDADRB2ADRB1
SCHEMBL7072628 0.93 ADRB2 (0.37) DRD2DRD3HPGDADRB2ADRB1
SCHEMBL7072070 0.92 DRD2 (0.36) DRD2DRD3HPGDADRB2ADRB1
SCHEMBL7073823 0.91 DRD3 (0.37) DRD2DRD3HPGDADRB2ADRB1
SCHEMBL7069146 0.91 PDE4A (0.38) DRD2DRD3HPGDADRB2ADRB1
SCHEMBL7068233 0.91 DRD2 (0.43) DRD2DRD3HPGDADRB2ADRB1
SCHEMBL7073168 0.88 NPC1 (0.41) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL7072213 0.88 TPSAB1 (0.39) HPGDTPSAB1TPSD1TPSG1KMT2A
SCHEMBL7069807 0.87 HPGD (0.40) DRD2DRD3HPGDADRB2ADRB1

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 DRD2 4438/4885DRD3 3527/4885HPGD 1524/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 DRD2 3490/4885DRD3 2354/4885HPGD 591/4885

“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.