SCHEMBL268539

SCHEMBL268539

CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cccc3occc23)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.58
PARP1 P09874 3/20 0.55
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ANO1 Q5XXA6 2/20 0.46
PBK Q96KB5 1/20 0.46
BRD4 O60885 1/20 0.45
GABRA5 P31644 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL269690 1.00 USP30 (0.58) USP30PARP1HDAC4HDAC6ANO1
SCHEMBL268538 1.00 USP30 (0.58) USP30PARP1HDAC4HDAC6ANO1
SCHEMBL7243205 0.85 USP30 (0.52) USP30PARP1HDAC4HDAC6ANO1
SCHEMBL16334671 0.81 USP30 (0.65) USP30PARP1HDAC4HDAC6PBK
SCHEMBL10224520 0.81 USP30 (0.65) USP30PARP1HDAC4HDAC6PBK
SCHEMBL1674871 0.81 USP30 (0.65) USP30PARP1HDAC4HDAC6PBK
SCHEMBL269564 0.78 GAA (0.50) USP30MEN1KMT2A
SCHEMBL5145035 0.77 USP30 (0.82) USP30PARP1HDAC4HDAC6ANO1
SCHEMBL29136117 0.75 USP30 (0.78) USP30PARP1HDAC4HDAC6ANO1
SCHEMBL30089220 0.75 USP30 (0.78) USP30PARP1HDAC4HDAC6ANO1

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-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
EP-2094685-B1 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP disclosed
US-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-18 US disclosed
EP-2094685-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 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-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS HCRTR1, HCRTR2, NPY1R USP30 3229/4885PARP1 2657/4885HDAC4 453/4885

“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.