Sugi Predict

Sugi Predict / Compounds / SCHEMBL6576298

SCHEMBL6576298

SCHEMBL6576298

CC(C)N(CCC(C(=O)O)(c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.61
▸ CYP3A4 P08684 3/20 0.61
▸ OPRK1 P41145 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ PMP22 Q01453 2/20 0.61
▸ SLC22A2 O15244 1/20 0.61
▸ SLC22A1 O15245 1/20 0.61
▸ PGR P06401 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ ADRB3 P13945 1/20 0.61
▸ PDE3A Q14432 1/20 0.61
▸ SLC47A1 Q96FL8 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ CHRM2 P08172 4/20 0.52
▸ CHRM1 P11229 4/20 0.52
▸ CHRM3 P20309 4/20 0.52
▸ OPRM1 P35372 4/20 0.51
▸ DRD3 P35462 3/20 0.51

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
SCHEMBL13541547 0.87 KCNH2 (0.74) KCNH2CYP3A4OPRK1TSHRBLM
SCHEMBL6576237 0.84 CYP3A4 (0.56) KCNH2CYP3A4OPRK1TSHRBLM
Hydrochloric Acid SCHEMBL11722933 0.83 KCNH2 (0.55) KCNH2CYP3A4OPRK1TSHRBLM
SCHEMBL6575900 0.82 CHRM2 (0.56) KCNH2CYP3A4OPRK1TSHRBLM
SCHEMBL11479945 0.78 KCNH2 (0.59) KCNH2CYP3A4OPRK1TSHRBLM
SCHEMBL6575350 0.78 CHRM2 (0.50) KCNH2CYP3A4OPRK1TSHRBLM
Disopyramide SCHEMBL23931452 0.77 KCNH2 (1.00) KCNH2CYP3A4OPRK1TSHRBLM
(S)-Disopyramide SCHEMBL41811 0.77 KCNH2 (1.00) KCNH2CYP3A4OPRK1TSHRBLM
Disopyramide SCHEMBL16153 0.77 KCNH2 (1.00) KCNH2CYP3A4OPRK1TSHRBLM
Hydrochloric Acid SCHEMBL11807083 0.77 CYP3A4 (0.59) CYP3A4TSHRBLMPMP22CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383730-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE Aryx Therapeutics (US) 2004-01-28 — — EP claimed
WO-2002096855-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE ARYX THERAPEUTICS (US) 2002-12-05 — — WO claimed
US-20020169208-A1 Novel anticholinergic compounds and methods of use ARYX THERAPEUTICS 2002-11-14 — — US claimed
EP-1383730-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE Aryx Therapeutics (US) 2004-01-28 — — EP disclosed
WO-2002096855-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE ARYX THERAPEUTICS (US) 2002-12-05 — — WO disclosed
US-20020169208-A1 Novel anticholinergic compounds and methods of use ARYX THERAPEUTICS 2002-11-14 — — 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-20020169208-A1 Novel anticholinergic compounds and methods of use CHRM3, CHRM5, CHRM2 KCNH2 1044/4885CYP3A4 2663/4885OPRK1 45/4885

“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.