Sugi Predict

Sugi Predict / Compounds / SCHEMBL5234189

SCHEMBL5234189

SCHEMBL5234189

C[C@H]1CC[C@H](C(=O)N(c2nn(-c3ccc(CCc4ccccc4)cc3)cc2C(=O)O)C2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.38
▸ KDM5B Q9UGL1 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ BRS3 P32247 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ ADRA1B P35368 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
SCHEMBL5235918 1.00 OPRM1 (0.38) OPRM1KDM5BALDH1A1CHRM3BRS3
SCHEMBL5235776 0.92 ALDH1A1 (0.39) KDM5BALDH1A1
SCHEMBL5237888 0.92 ALDH1A1 (0.39) KDM5BALDH1A1
SCHEMBL5235982 0.88 OPRD1 (0.32) OPRD1
SCHEMBL5235976 0.88 OPRD1 (0.32) OPRD1
SCHEMBL5234194 0.88 OPRM1 (0.37) OPRM1ALDH1A1CHRM3CACNA2D1CHRM2
SCHEMBL5232188 0.88 MEN1 (0.36) KDM5BALDH1A1MAOB
SCHEMBL5232176 0.88 MEN1 (0.36) KDM5BALDH1A1MAOB
SCHEMBL5232191 0.88 MEN1 (0.36) KDM5BALDH1A1MAOB
SCHEMBL5234148 0.88 MEN1 (0.36) KDM5BALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 — — EP claimed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 — — EP claimed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 — — WO claimed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 — — EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 — — US disclosed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 — — EP disclosed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 — — 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 (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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L OPRM1 725/4885KDM5B 3772/4885ALDH1A1 1138/4885

“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.