SCHEMBL493276

SCHEMBL493276

CN(C)C(c1cccs1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
BDKRB1 P46663 8/20 0.36
CNR2 P34972 1/20 0.33
SLC9A3 P48764 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GSTO1 P78417 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL492753 0.93 TRPV4 (0.36) TRPV4BDKRB1CNR2OPRM1OPRD1
SCHEMBL493347 0.90 TDP1 (0.39) SLC9A3MAPTLMNATP53POLB
SCHEMBL492489 0.88 BDKRB1 (0.37) TRPV4BDKRB1CNR2SLC9A3GSTO1
SCHEMBL492842 0.85 BDKRB1 (0.36) TRPV4BDKRB1CNR2SLC9A3GSTO1
SCHEMBL493332 0.85 BDKRB1 (0.36) TRPV4BDKRB1CNR2SLC9A3OPRM1
SCHEMBL493214 0.85 BDKRB1 (0.43) BDKRB1MAPTL3MBTL1PKM
SCHEMBL493141 0.84 BDKRB1 (0.36) BDKRB1OPRM1L3MBTL1ALDH1A1PKM
SCHEMBL493097 0.84 POLB (0.40) BDKRB1MAPTLMNAPOLBTDP1
SCHEMBL493462 0.84 TP53 (0.37) MAPTLMNATP53POLBTDP1
SCHEMBL492795 0.83 BDKRB1 (0.51) BDKRB1

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 3 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-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 TRPV4 217/4885BDKRB1 1622/4885CNR2 24/4885

“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.