SCHEMBL851266

SCHEMBL851266

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(OCc3cccc(C#N)c3)cc(OCc3cccc(C#N)c3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.44
ADAM17 P78536 2/20 0.42
MMP1 P03956 1/20 0.42
NAMPT P43490 1/20 0.42
MGLL Q99685 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
PRKAA2 P54646 1/20 0.41
YAP1 P46937 1/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 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
SCHEMBL851102 0.95 F2 (0.42) CHRM4ADAM17MMP1NAMPTCCNC
SCHEMBL851136 0.91 PRKAA2 (0.47) CHRM4NAMPTCCNCCDK8PRKAA2
SCHEMBL851587 0.89 MET (0.45) CHRM4ADAM17MMP1YAP1
SCHEMBL851681 0.87 PRKAA2 (0.45) CHRM4ADAM17CCNCCDK8PRKAA2
SCHEMBL27987391 0.83 CHRM4 (0.46) CHRM4ADAM17MMP1NAMPTMGLL
SCHEMBL851914 0.83 PRSS1 (0.50) CHRM4NAMPTCCNCCDK8PRKAA2
SCHEMBL852428 0.82 CHRM4 (0.43) CHRM4NAMPTCCNCCDK8CHRM2
SCHEMBL851120 0.81 PRKAA2 (0.47) NAMPTCCNCCDK8PRKAA2
SCHEMBL852002 0.80 F2 (0.46) CHRM4NAMPTMGLLCCNCCDK8
SCHEMBL851247 0.80 F2 (0.46) CHRM4NAMPTCCNCCDK8PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427853-B Protease Inhibitors ORION CORP 2014-11-05 CN disclosed
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (2 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CHRM4 4725/4885ADAM17 47/4885MMP1 84/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CHRM4 4725/4885ADAM17 47/4885MMP1 84/4885

“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.