SCHEMBL5007940

SCHEMBL5007940

CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
MAPK1 P28482 1/20 0.46
CCKBR P32239 1/20 0.46
CCR1 P32246 4/20 0.45
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGA1 P56199 1/20 0.39
MC4R P32245 2/20 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
SCHEMBL13994327 0.91 TRPV4 (0.52) TRPV4CCR1MEN1KMT2AITGA1
SCHEMBL5004460 0.89 TRPV4 (0.53) TRPV4CCR1MEN1KMT2AMC4R
SCHEMBL4976334 0.87 TRPV4 (0.68) TRPV4MAPK1CCKBRCCR1ITGB1
SCHEMBL4978992 0.85 CCKBR (0.50) CCKBRITGB1ITGA4MEN1KMT2A
SCHEMBL13994326 0.83 TRPV4 (0.50) TRPV4MAPK1CCR1MEN1KMT2A
SCHEMBL4980366 0.81 TRPV4 (0.80) TRPV4CCR1
SCHEMBL4971936 0.80 TRPV4 (0.47) TRPV4MEN1KMT2AMC4R
SCHEMBL5007943 0.75 TRPV4 (0.70) TRPV4CCR1MEN1KMT2AMC4R
SCHEMBL4132204 0.75 MAPK1 (0.45) TRPV4MAPK1CCR1MEN1KMT2A
SCHEMBL4132203 0.75 MAPK1 (0.45) TRPV4MAPK1CCR1MEN1KMT2A

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-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
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US disclosed
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 1/4885MAPK1 1612/4885CCKBR 441/4885

“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.