Sugi Predict

Sugi Predict / Compounds / SCHEMBL17259390

SCHEMBL17259390

SCHEMBL17259390

COc1cc(C(=O)NCCCCc2ccc(-c3ccccc3)c(N(C(=O)O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)c2)c(Cl)cc1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 1/20 0.34
▸ CACNA1A O00555 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNG3 O60359 1/20 0.34
▸ CACNA1F O60840 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNB3 P54284 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ CACNG7 P62955 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CACNA1D Q01668 1/20 0.34
▸ CACNB1 Q02641 1/20 0.34
▸ CACNG1 Q06432 1/20 0.34
▸ CACNB2 Q08289 1/20 0.34
▸ CACNA1S Q13698 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ CACNA1E Q15878 1/20 0.34
▸ CACNA2D4 Q7Z3S7 1/20 0.34
▸ CACNA2D3 Q8IZS8 1/20 0.34
▸ CACNG8 Q8WXS5 1/20 0.34

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
SCHEMBL17259389 1.00 CACNB4 (0.34) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15823572 0.98 CACNB4 (0.34) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15823569 0.98 CACNB4 (0.34) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15824004 0.91 SUV39H2 (0.36) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15824003 0.91 SUV39H2 (0.36) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15823442 0.89 SUV39H2 (0.36) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15823445 0.89 SUV39H2 (0.36) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15822990 0.89 KMT2A (0.35) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15822992 0.89 KMT2A (0.35) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15822314 0.82 SUV39H2 (0.35) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 — — US disclosed
US-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2015-11-19 — — 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-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY CHRM3, CHRM2, ADRB2 CACNB4 425/4885CACNA1A 616/4885CACNA1G 365/4885

“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.