SCHEMBL493901

SCHEMBL493901

CN(C)C(c1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.41
BDKRB1 P46663 2/20 0.41
CCR6 P51684 4/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 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
SCHEMBL493380 0.94 BDKRB1 (0.40) PTGIRBDKRB1KMT2AMEN1ALDH1A1
SCHEMBL492844 0.94 PTGIR (0.40) PTGIRBDKRB1CCR6KMT2AMEN1
SCHEMBL493135 0.93 BDKRB1 (0.39) PTGIRBDKRB1KMT2AHPGDPOLB
SCHEMBL493043 0.91 BDKRB1 (0.38) PTGIRBDKRB1
SCHEMBL492721 0.88 CXCR3 (0.43) PTGIRKMT2AMEN1ALDH1A1
SCHEMBL492955 0.88 BDKRB1 (0.41) BDKRB1KMT2AMEN1ALDH1A1HPGD
SCHEMBL493109 0.88 SLC9A3 (0.35) PTGIRBDKRB1ALDH1A1
SCHEMBL494153 0.87 PTGIR (0.35) PTGIRBDKRB1
SCHEMBL493804 0.86 BDKRB1 (0.38) PTGIRBDKRB1CCR6KMT2AMEN1
SCHEMBL493893 0.86 BDKRB1 (0.39) PTGIRBDKRB1KMT2AMEN1ALDH1A1

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 PTGIR 121/4885BDKRB1 1622/4885CCR6 4029/4885

“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.