SCHEMBL269797

SCHEMBL269797

Cc1nc2sccn2c1C(=O)NC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.57
HCRTR2 O43614 1/20 0.57
USP30 Q70CQ3 6/20 0.50
PARP1 P09874 2/20 0.50
HDAC4 P56524 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
PBK Q96KB5 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
BTK Q06187 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
SCHEMBL269796 1.00 HCRTR1 (0.57) HCRTR1HCRTR2USP30PARP1HDAC4
SCHEMBL15630955 0.77 GUCY1B2 (0.62) USP30PARP1HDAC4HDAC6
SCHEMBL15630986 0.77 GUCY1B2 (0.62) USP30PARP1HDAC4HDAC6
SCHEMBL4739213 0.77 MAPK1 (0.43) HCRTR1HCRTR2
SCHEMBL4739206 0.77 MAPK1 (0.43) HCRTR1HCRTR2
SCHEMBL16334091 0.76 USP30 (0.55) USP30PARP1HDAC4HDAC6PBK
SCHEMBL16337990 0.76 USP30 (0.55) USP30PARP1HDAC4HDAC6PBK
SCHEMBL20986730 0.75 USP30 (0.54) USP30PARP1HDAC4HDAC6PBK
SCHEMBL20986732 0.75 USP30 (0.54) USP30PARP1HDAC4HDAC6PBK
SCHEMBL1398781 0.74 HCRTR1 (0.47) HCRTR1HCRTR2

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 3 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

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 HCRTR1 1/4885HCRTR2 2/4885USP30 3229/4885

“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.