SCHEMBL5004499

SCHEMBL5004499

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 1.00
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
CCR1 P32246 4/20 0.47
CTSK P43235 5/20 0.43
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
PIN1 Q13526 1/20 0.41
ACKR3 P25106 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
MC4R P32245 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
SCHEMBL29353598 1.00 TRPV4 (1.00) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL5007988 1.00 TRPV4 (1.00) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL28218477 1.00 TRPV4 (1.00) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL4971055 0.97 TRPV4 (0.94) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL5007170 0.94 TRPV4 (0.89) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL5004275 0.93 TRPV4 (0.87) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL5007926 0.92 TRPV4 (0.85) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL5007997 0.91 TRPV4 (0.84) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL4993946 0.91 TRPV4 (0.84) TRPV4TAS1R3TAS1R1CCR1CTSK
SCHEMBL5007250 0.91 TRPV4 (0.83) TRPV4TAS1R3TAS1R1CCR1CTSK

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 6 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

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 1/4885TAS1R3 506/4885TAS1R1 575/4885

“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.