SCHEMBL493166

SCHEMBL493166

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TRPA1 O75762 1/20 0.35
OPRL1 P41146 1/20 0.35
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
HTR6 P50406 1/20 0.34
BDKRB1 P46663 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC9A3 P48764 2/20 0.34
NPC1 O15118 1/20 0.34
CCR5 P51681 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL492803 0.95 SMN1; SMN2 (0.36) KMT2AMEN1OPRL1HTR6BDKRB1
SCHEMBL492914 0.95 OPRL1 (0.37) KMT2AMEN1OPRL1HTTHTR6
SCHEMBL493303 0.94 ALDH1A1 (0.39) KMT2AHTR6BDKRB1SMN1; SMN2LMNA
SCHEMBL492810 0.93 OPRM1 (0.41) HTTBDKRB1SMN1; SMN2LMNA
SCHEMBL493251 0.92 HTR6 (0.38) KMT2AMEN1TRPA1OPRL1HTT
SCHEMBL493345 0.92 KMT2A (0.39) KMT2AMEN1TRPA1HTTHPGD
SCHEMBL493349 0.91 ALDH1A1 (0.40) KMT2AMEN1HTTHTR6BDKRB1
SCHEMBL493170 0.90 LMNA (0.39) KMT2AOPRL1BDKRB1SMN1; SMN2CCR5
SCHEMBL492894 0.89 BDKRB1 (0.37) OPRL1HTR6BDKRB1SLC9A3
SCHEMBL492862 0.89 KMT2A (0.42) KMT2AMEN1HTTHPGDBDKRB1

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 KMT2A 1749/4885MEN1 4132/4885TRPA1 62/4885

“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.