SCHEMBL5007984

SCHEMBL5007984

CC(CCNC(=O)c1cc2ccccc2s1)CC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.55
ALDH1A1 P00352 1/20 0.44
ACKR3 P25106 2/20 0.44
OPRM1 P35372 3/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
DRD3 P35462 5/20 0.42
DRD2 P14416 5/20 0.42
HTR1A P08908 3/20 0.42
HTR2A P28223 3/20 0.42
RAB9A P51151 2/20 0.40
DRD1 P21728 2/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR2B P41595 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL5011594 0.89 TRPV4 (0.54) TRPV4ACKR3OPRM1SLC6A2SLC6A4
SCHEMBL5004473 0.87 TRPV4 (0.54) TRPV4ACKR3OPRM1SLC6A2SLC6A4
SCHEMBL5007939 0.85 TRPV4 (0.60) TRPV4ACKR3OPRM1SLC6A2SLC6A4
SCHEMBL5007235 0.85 TRPV4 (0.48) TRPV4ACKR3OPRM1SLC6A2SLC6A4
SCHEMBL5007951 0.85 TRPV4 (0.48) TRPV4ACKR3OPRM1SLC6A2SLC6A4
SCHEMBL5007972 0.85 TRPV4 (0.54) TRPV4ACKR3SLC6A2SLC6A4DRD3
SCHEMBL5004501 0.83 TRPV4 (0.72) TRPV4ACKR3OPRM1SLC6A2SLC6A4
SCHEMBL5007925 0.83 TRPV4 (0.58) TRPV4ACKR3OPRM1SLC6A2SLC6A4
SCHEMBL5007269 0.83 TRPV4 (0.46) TRPV4ACKR3OPRM1SLC6A2SLC6A4
SCHEMBL4972091 0.83 TRPV4 (0.74) TRPV4ALDH1A1ACKR3OPRM1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US claimed
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 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-20080318945-A1 Novel Compounds TRPV4, TRPV1, TRPV3 TRPV4 1/4885ALDH1A1 2369/4885ACKR3 217/4885

“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.