SCHEMBL14979846

SCHEMBL14979846

OCCCN1CCCC(F)(F)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
BDKRB1 P46663 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A1 P30531 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL4489191 0.88 HRH3 (0.34) HRH3SLC6A4OPRM1TSHR
SCHEMBL19948483 0.88 KDM4E (0.33) HRH3SLC6A4OPRM1MEN1KMT2A
SCHEMBL14131261 0.81 S1PR1 (0.41) HRH3SLC6A4OPRM1
SCHEMBL14967993 0.79 TSHR (0.42) TSHR
SCHEMBL30854371 0.79 CYP1A2 (0.58) HRH3OPRM1BDKRB1SLC6A1PDCD1
SCHEMBL14131234 0.78 HRH3 (0.38) HRH3SLC6A4OPRM1
SCHEMBL29023023 0.78 OPRM1 (0.40) HRH3SLC6A4OPRM1BDKRB1SLC6A1
SCHEMBL29466212 0.78 L3MBTL1 (0.44) HRH3OPRM1BDKRB1PDCD1CD274
SCHEMBL17622038 0.77 MAPT (0.52) HRH3SLC6A4OPRM1
SCHEMBL737952 0.76 HRH3 (0.33) HRH3SLC6A4OPRM1SLC6A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9663463-B2 3-azabicyclo[3.1.0]hexane derivative and use thereof for medical purpose SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2017-05-30 US disclosed
US-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-29 US disclosed
EP-3072884-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-28 EP disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US 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
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US 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 (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-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE OPRM1, OPRD1, OPRK1 HRH3 67/4885SLC6A4 676/4885OPRM1 1/4885
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC HRH3 4618/4885SLC6A4 4234/4885OPRM1 3461/4885

“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.