SCHEMBL851579

SCHEMBL851579

CCOC(=O)N1CCN(C(=O)c2cc(OCc3ccc(CNC(=O)OC(C)(C)C)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HDAC1 Q13547 1/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
P2RX7 Q99572 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKAA2 P54646 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ADAM17 P78536 1/20 0.39
SCN7A Q01118 1/20 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
SCHEMBL850954 0.95 ALDH1A1 (0.47) GPR119ALDH1A1GAAHRH2HRH1
SCHEMBL851236 0.87 HDAC1 (0.47) GPR119HDAC1RAB9AMEN1KMT2A
SCHEMBL851618 0.87 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2RAB9AMEN1
SCHEMBL852098 0.84 ALDH1A1 (0.49) ALDH1A1GAAHRH2HRH1HRH3
SCHEMBL851821 0.84 GAA (0.52) GPR119ALDH1A1GAAHRH2HRH1
SCHEMBL851692 0.83 HDAC1 (0.50) HDAC1RAB9AMEN1KMT2A
SCHEMBL851681 0.83 PRKAA2 (0.45) GPR119CCNCCDK8SMN1; SMN2PRKAA2
SCHEMBL850959 0.81 EPHX2 (0.44) HDAC1RAB9AMEN1KMT2AMAPT
SCHEMBL850539 0.81 ALDH1A1 (0.63) ALDH1A1GAAHRH2HRH1HRH3
SCHEMBL851247 0.81 F2 (0.46) GPR119HDAC1HRH3CCNCCDK8

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-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 GPR119 3130/4885ALDH1A1 1252/4885GAA 294/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 GPR119 3130/4885ALDH1A1 1252/4885GAA 294/4885

“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.