SCHEMBL852098

SCHEMBL852098

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 1/20 0.49
HRH2 P25021 4/20 0.48
HRH1 P35367 4/20 0.48
HRH3 Q9Y5N1 1/20 0.48
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL851821 0.91 GAA (0.52) ALDH1A1GAAHRH2HRH1HRH3
SCHEMBL850539 0.87 ALDH1A1 (0.63) ALDH1A1GAAHRH2HRH1HRH3
SCHEMBL851063 0.87 ALDH1A1 (0.49) ALDH1A1GAAHRH2HRH1RAB9A
SCHEMBL851553 0.86 ST14 (0.56) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL851579 0.84 GPR119 (0.44) ALDH1A1GAAHRH2HRH1HRH3
SCHEMBL851372 0.83 ALDH1A1 (0.55) ALDH1A1GAAHRH2HRH1HRH3
SCHEMBL851619 0.79 RAB9A (0.58) RAB9AMAPTMAOB
SCHEMBL860492 0.79 ALDH1A1 (0.50) ALDH1A1GAARAB9ASMN1; SMN2KMT2A
SCHEMBL850889 0.78 PRSS1 (0.57) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL851452 0.78 ST14 (0.57) ALDH1A1GAASMN1; SMN2KMT2AMEN1

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 ALDH1A1 1252/4885GAA 294/4885HRH2 1386/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ALDH1A1 1252/4885GAA 294/4885HRH2 1386/4885

“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.