SCHEMBL1929666

SCHEMBL1929666

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
DRD2 P14416 1/20 0.44
SCN3A Q9NY46 2/20 0.43
SCN4A P35499 1/20 0.43
STAT6 P42226 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CYP51A1 Q16850 1/20 0.41
HDAC1 Q13547 1/20 0.40
CNR2 P34972 1/20 0.39
ELANE P08246 3/20 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
SCHEMBL1931303 0.89 DRD2 (0.47) DRD2STAT6TAS1R3TAS1R1CYP51A1
SCHEMBL1931683 0.89 DRD2 (0.47) DRD2STAT6TAS1R3TAS1R1CYP51A1
SCHEMBL14964347 0.89 DRD2 (0.47) DRD2STAT6TAS1R3TAS1R1CYP51A1
SCHEMBL1931738 0.89 DRD2 (0.47) DRD2STAT6TAS1R3TAS1R1CYP51A1
SCHEMBL2364895 0.86 DRD2 (0.44) DRD2SCN3ASCN4ASTAT6TAS1R3
SCHEMBL2364894 0.86 DRD2 (0.44) DRD2SCN3ASCN4ASTAT6TAS1R3
SCHEMBL19856894 0.86 DRD2 (0.45) DRD2STAT6TAS1R3TAS1R1CYP51A1
SCHEMBL19856892 0.86 DRD2 (0.45) DRD2STAT6TAS1R3TAS1R1CYP51A1
SCHEMBL8000170 0.85 DRD2 (0.46) DRD2STAT6TAS1R3TAS1R1CYP51A1
SCHEMBL7943270 0.84 STAT6 (0.48) DRD2SCN3ASCN4ASTAT6TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 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-20110130400-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV1 PARP1 3909/4885DRD2 928/4885SCN3A 411/4885

“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.