SCHEMBL14967455

SCHEMBL14967455

[O]C1CCN(CCOC(F)(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
KCNH2 Q12809 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
SLC6A1 P30531 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL19346333 0.82 CARM1 (0.46) ALDH1A1HRH3
SCHEMBL14967457 0.82 KCNA3 (0.38) NPC1ALDH1A1HRH3
SCHEMBL18781269 0.78 ALDH1A1 (0.32) NPC1ALDH1A1SMN1; SMN2
SCHEMBL21677320 0.77 ALDH1A1 (0.45) NPC1KCNH2ALDH1A1SMN1; SMN2HTR1A
SCHEMBL22049253 0.75 CARM1 (0.33) NPC1ALDH1A1SMN1; SMN2
SCHEMBL13559776 0.75 ALDH1A1 (0.42) NPC1ALDH1A1SMN1; SMN2HRH3
SCHEMBL20962670 0.73 TSHR (0.41) ALDH1A1SMN1; SMN2
SCHEMBL13506097 0.73 SIGMAR1 (0.42) ALDH1A1SMN1; SMN2HRH3
SCHEMBL1570155 0.72 HSD11B1 (0.44) NPC1ALDH1A1SMN1; SMN2SLC18A3
SCHEMBL21632171 0.69 SLC6A1 (0.38) ALDH1A1SLC6A1HRH3

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 NPC1 172/4885KCNH2 4405/4885CACNA1I 4279/4885

“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.