SCHEMBL492866

SCHEMBL492866

CN1CCN(C(c2ccccc2)C2CCC(NC(=O)COC3CCN(S(=O)(=O)c4c(Cl)cc(Cl)cc4Cl)C3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.43
CACNA1B Q00975 4/20 0.43
CACNB1 Q02641 4/20 0.43
CACNA1C Q13936 4/20 0.43
FPR2 P25090 5/20 0.36
PROKR1 Q8TCW9 5/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
ACLY P53396 1/20 0.35
FLT3 P36888 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL493670 0.95 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL492856 0.93 SMN1; SMN2 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CFPR2
SCHEMBL492643 0.91 MEN1 (0.42) PKMMEN1POLBGAAKMT2A
SCHEMBL492834 0.89 SMN1; SMN2 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL493289 0.87 BDKRB1 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CPKM
SCHEMBL492683 0.87 MEN1 (0.41) MEN1POLBGAAKMT2ASMN1; SMN2
SCHEMBL493457 0.86 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CPKM
SCHEMBL493757 0.86 KMT2A (0.39) PKMMEN1POLBGAAKMT2A
SCHEMBL492870 0.82 FAAH (0.38) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL494207 0.82 BDKRB1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CGAA

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-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.