SCHEMBL492720

SCHEMBL492720

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ CACNB1 Q02641 2/20 0.36
▸ CACNA1C Q13936 2/20 0.36
▸ BDKRB1 P46663 2/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL494334 0.98 RAB9A (0.37) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492997 0.96 RAB9A (0.37) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL493955 0.94 RAB9A (0.38) BDKRB1RAB9ANPC1LMNAALDH1A1
SCHEMBL493818 0.92 ATM (0.38) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL493699 0.90 ATM (0.37) RAB9AALDH1A1CYP3A4CYP2D6SLC6A2
SCHEMBL493219 0.88 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493642 0.87 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A
SCHEMBL492788 0.86 CACNA2D1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493572 0.86 PTGIR (0.39) RAB9ANPC1
SCHEMBL493321 0.85 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 — — EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CACNA2D1 638/4885CACNA1B 1416/4885CACNB1 3167/4885

“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.

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