SCHEMBL492160

SCHEMBL492160

CN(C)C(c1cccs1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 3/20 0.41
CACNA1B Q00975 3/20 0.40
RORC P51449 2/20 0.40
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL492780 0.94 GAA (0.41) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493707 0.90 GAA (0.43) GAAHPGDKMT2ACACNA1BALDH1A1
SCHEMBL492425 0.89 ALDH1A1 (0.43) HPGDKMT2AALDH1A1PKML3MBTL1
SCHEMBL493254 0.89 GAA (0.44) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL492793 0.88 GAA (0.43) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493036 0.87 ALDH1A1 (0.44) GAAKMT2AALDH1A1PKMMAPT
SCHEMBL493189 0.87 GAA (0.42) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493977 0.87 CCR2 (0.43) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493906 0.87 ALDH1A1 (0.44) KMT2AALDH1A1PKMMAPTMEN1
SCHEMBL493140 0.86 ALDH1A1 (0.43) KMT2AALDH1A1PKML3MBTL1MEN1

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 4 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
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 GAA 445/4885HPGD 213/4885KMT2A 1749/4885

“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.