SCHEMBL14968360

SCHEMBL14968360

OCCCN1CCCC(F)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
BCHE P06276 7/20 0.37
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2116557 0.90 HRH3 (0.39) HRH3
SCHEMBL3761586 0.90 HRH3 (0.39) HRH3
SCHEMBL15884675 0.90 HRH3 (0.39) HRH3
SCHEMBL19616859 0.88 ALDH1A1 (0.38) HRH3BCHEMAPK1SMN1; SMN2
SCHEMBL19616697 0.88 ALDH1A1 (0.38) HRH3BCHEMAPK1SMN1; SMN2
SCHEMBL18109834 0.88 ALDH1A1 (0.38) HRH3BCHEMAPK1SMN1; SMN2
SCHEMBL6120230 0.84 HRH3 (0.38) HRH3BCHE
SCHEMBL6120228 0.84 HRH3 (0.38) HRH3BCHE
SCHEMBL18233685 0.81 KEAP1 (0.39) HRH3BCHESMN1; SMN2
SCHEMBL14131087 0.81 BCHE (0.47) BCHE

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 1381/4885ACHE 3203/4885

“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.