SCHEMBL5004432

SCHEMBL5004432

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.78
ACKR3 P25106 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
CCR1 P32246 4/20 0.48
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
CTSK P43235 5/20 0.42
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL5007798 0.93 TRPV4 (0.68) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL4980366 0.90 TRPV4 (0.80) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL5004275 0.89 TRPV4 (0.87) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL5007988 0.88 TRPV4 (1.00) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL5004499 0.88 TRPV4 (1.00) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL29353598 0.88 TRPV4 (1.00) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL28218477 0.88 TRPV4 (1.00) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL4993946 0.87 TRPV4 (0.84) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL14495702 0.87 TRPV4 (0.59) TRPV4ACKR3TAS1R3TAS1R1CCR1
SCHEMBL5007250 0.87 TRPV4 (0.83) TRPV4ACKR3TAS1R3TAS1R1CCR1

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 1/4885ACKR3 217/4885TAS1R3 506/4885

“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.