SCHEMBL14968359

SCHEMBL14968359

[O]CCCN1CCCC(F)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
BCHE P06276 7/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BDKRB1 P46663 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL2116555 0.90 HRH3 (0.39) HRH3BCHEL3MBTL1HTR7
SCHEMBL18233685 0.81 KEAP1 (0.39) HRH3BCHESMN1; SMN2
SCHEMBL14968360 0.81 HRH3 (0.39) HRH3BCHECYP1A2MAPK1SMN1; SMN2
SCHEMBL14131087 0.81 BCHE (0.47) BCHE
Hydrochloric Acid SCHEMBL18225621 0.79 HRH3 (0.38) HRH3BCHESMN1; SMN2
Hydrochloric Acid SCHEMBL2887677 0.79 HRH3 (0.44) HRH3BCHE
SCHEMBL14968075 0.79
SCHEMBL5271415 0.78 BCHE (0.36) BCHE
SCHEMBL14131035 0.78 GBA1 (0.38) HRH3BCHE
SCHEMBL2116260 0.77 GNAI3 (0.39) HRH3SMN1; SMN2

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 HRH3 4618/4885BCHE 1381/4885L3MBTL1 2610/4885

“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.