SCHEMBL493003

SCHEMBL493003

CN(C)C(c1ccc(F)cc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.36
CNR2 P34972 2/20 0.35
BDKRB1 P46663 5/20 0.35
PTGIR P43119 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
GRM5 P41594 1/20 0.33
GSTO1 P78417 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 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
SCHEMBL493359 0.95 BDKRB1 (0.36) TRPV4CNR2BDKRB1PTGIRGSTO1
SCHEMBL492842 0.93 BDKRB1 (0.36) TRPV4CNR2BDKRB1GSTO1
SCHEMBL492558 0.92 HTR7 (0.35) TRPV4CNR2BDKRB1PTGIR
SCHEMBL493506 0.91 PTGIR (0.35) BDKRB1PTGIRPSEN1PSEN2APH1B
SCHEMBL492534 0.89 LMNA (0.37) TRPV4BDKRB1HPGD
SCHEMBL493376 0.89 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL492871 0.89 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL492489 0.88 BDKRB1 (0.37) TRPV4CNR2BDKRB1PTGIRGSTO1
SCHEMBL493135 0.87 BDKRB1 (0.39) BDKRB1PTGIRGRM5HPGDHTT
SCHEMBL493109 0.87 SLC9A3 (0.35) BDKRB1PTGIRGRM5

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

“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.