SCHEMBL4976334

SCHEMBL4976334

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

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.68
MAPK1 P28482 1/20 0.47
CCKBR P32239 1/20 0.47
CCR1 P32246 3/20 0.43
PSMB5 P28074 1/20 0.42
F2 P00734 1/20 0.42
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
ITGA1 P56199 1/20 0.40
MC4R P32245 2/20 0.40

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
SCHEMBL5007943 0.89 TRPV4 (0.70) TRPV4CCR1PSMB5F2MC4R
SCHEMBL5007940 0.87 TRPV4 (0.52) TRPV4MAPK1CCKBRCCR1ITGB1
SCHEMBL13994351 0.83 TRPV4 (0.65) TRPV4MAPK1CCR1F2MC4R
SCHEMBL4975527 0.82 TRPV4 (0.66) TRPV4MC4R
SCHEMBL5004499 0.81 TRPV4 (1.00) TRPV4CCR1MC4R
SCHEMBL29353598 0.81 TRPV4 (1.00) TRPV4CCR1MC4R
SCHEMBL5007988 0.81 TRPV4 (1.00) TRPV4CCR1MC4R
SCHEMBL28218477 0.81 TRPV4 (1.00) TRPV4CCR1MC4R
SCHEMBL5007996 0.80 TRPV4 (0.60) TRPV4CCR1PSMB5F2MC4R
SCHEMBL13994320 0.79 TRPV4 (0.62) TRPV4MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US claimed
EP-1968590-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-17 EP claimed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 WO 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
EP-1968590-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 WO disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 WO 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.