SCHEMBL5004470

SCHEMBL5004470

CC(CCNC(=O)c1cc2ccccc2s1)CC(=O)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Cl)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.57
DRD3 P35462 6/20 0.44
DRD2 P14416 5/20 0.44
EPHX2 P34913 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ACKR3 P25106 1/20 0.40
OPRM1 P35372 4/20 0.40
CCR1 P32246 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
DRD1 P21728 1/20 0.37
RAB9A P51151 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL5007939 0.92 TRPV4 (0.60) TRPV4DRD3DRD2EPHX2SLC6A2
SCHEMBL5004501 0.90 TRPV4 (0.72) TRPV4DRD3DRD2EPHX2SLC6A2
SCHEMBL5007925 0.90 TRPV4 (0.58) TRPV4DRD3DRD2EPHX2SLC6A2
SCHEMBL5004473 0.87 TRPV4 (0.54) TRPV4DRD3DRD2SLC6A2SLC6A4
SCHEMBL5010207 0.85 TRPV4 (0.57) TRPV4DRD3DRD2SLC6A2SLC6A4
SCHEMBL5007972 0.85 TRPV4 (0.54) TRPV4DRD3DRD2SLC6A2SLC6A4
SCHEMBL5011594 0.83 TRPV4 (0.54) TRPV4DRD3DRD2EPHX2SLC6A2
SCHEMBL5004466 0.83 TRPV4 (0.82) TRPV4DRD3DRD2EPHX2ACKR3
SCHEMBL5007984 0.83 TRPV4 (0.55) TRPV4DRD3DRD2SLC6A2SLC6A4
SCHEMBL5007235 0.81 TRPV4 (0.48) TRPV4DRD3DRD2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885DRD3 391/4885DRD2 417/4885

“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.