SCHEMBL14968346

SCHEMBL14968346

COC1CN(CCCO)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.38
GLB1 P16278 1/20 0.36
GUSB P08236 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL12521939 0.86
SCHEMBL18159722 0.84 GRIN1 (0.33) MEN1KMT2ALMNAPOLBSIGMAR1
SCHEMBL19616664 0.84 GRIN1 (0.33) MEN1KMT2ALMNAPOLBSIGMAR1
SCHEMBL2114234 0.84 GRIN1 (0.33) MEN1KMT2ALMNAPOLBSIGMAR1
SCHEMBL25638098 0.84 GBA2 (0.38) GBA1MEN1KMT2A
SCHEMBL2116532 0.81 ACHE (0.39)
SCHEMBL20002903 0.80 GLB1 (0.52) GBA1GLB1GUSBEBPSIGMAR1
SCHEMBL2116387 0.79 HRH3 (0.37) MEN1KMT2ALMNAPOLB
SCHEMBL6044051 0.79 HTR4 (0.34)
SCHEMBL14968345 0.78 EBP (0.34) GLB1GUSBEBPSIGMAR1

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
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2780026-A2 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC GBA1 1203/4885GLB1 1776/4885GUSB 2066/4885

“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.