SCHEMBL4974458

SCHEMBL4974458

CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
PREP P48147 4/20 0.54
FKBP1A P62942 3/20 0.53
KLK7 P49862 1/20 0.52
UCHL1 P09936 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PARP1 P09874 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL13780263 0.97 HSD17B10 (0.58) HSD17B10PREPKLK7UCHL1NPC1
SCHEMBL2960273 0.96 PREP (0.57) HSD17B10PREPFKBP1AKLK7
SCHEMBL6201175 0.91 PREP (0.58) HSD17B10PREPKLK7UCHL1
SCHEMBL6201170 0.91 PREP (0.58) HSD17B10PREPKLK7UCHL1
SCHEMBL3394990 0.86 HSD17B10 (0.56) HSD17B10KLK7UCHL1
SCHEMBL3394995 0.86 HSD17B10 (0.56) HSD17B10KLK7UCHL1
SCHEMBL16531226 0.86 FKBP1A (0.70) PREPFKBP1AKLK7
SCHEMBL13257218 0.86 FKBP1A (0.70) PREPFKBP1AKLK7
SCHEMBL221644 0.86 FKBP1A (0.70) PREPFKBP1AKLK7
SCHEMBL10556342 0.85 PREP (0.65) PREPFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HSD17B10 3400/4885PREP 3355/4885FKBP1A 2495/4885

“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.