SCHEMBL493670

SCHEMBL493670

CN1CCN(C(c2ccccc2)C2CCC(NC(=O)COC3CCCN(S(=O)(=O)c4c(Cl)cc(Cl)cc4Cl)C3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.42
CACNA1B Q00975 4/20 0.42
CACNB1 Q02641 4/20 0.42
CACNA1C Q13936 4/20 0.42
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 7/20 0.36
LMNA P02545 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL492866 0.95 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL492834 0.94 SMN1; SMN2 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A
SCHEMBL492683 0.91 MEN1 (0.41) RAB9ANPC1ATMSMN1; SMN2MEN1
SCHEMBL492856 0.90 SMN1; SMN2 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A
SCHEMBL493457 0.89 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A
SCHEMBL494207 0.87 BDKRB1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL492643 0.87 MEN1 (0.42) RAB9AATMSMN1; SMN2MEN1KMT2A
SCHEMBL493064 0.87 RAB9A (0.39) RAB9ANPC1ATMSMN1; SMN2MEN1
SCHEMBL493203 0.84 FAAH (0.37) CACNA2D1CACNA1BCACNB1CACNA1CATM
SCHEMBL493321 0.83 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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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.