SCHEMBL16838121

SCHEMBL16838121

CN1CCC(O)(c2ccc(F)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
EGFR P00533 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK11 Q15759 1/20 0.40
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
DRD2 P14416 5/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3117016 0.90 MAPK1 (0.39) MAPK1OPRM1OPRD1OPRK1OPRL1
SCHEMBL10990189 0.87 MAPK1 (0.40) MAPK1OPRM1OPRD1OPRK1OPRL1
SCHEMBL31549182 0.84 CYP1A2 (0.39) MAPK1OPRM1OPRD1OPRK1OPRL1
SCHEMBL22807054 0.84 OPRM1 (0.38) MAPK1OPRM1OPRD1OPRK1OPRL1
SCHEMBL29919868 0.84 OPRM1 (0.38) MAPK1OPRM1OPRD1OPRK1OPRL1
SCHEMBL23921879 0.84 DRD2 (0.49) MAPK1OPRM1OPRD1OPRK1OPRL1
SCHEMBL9697435 0.84 BACE1 (0.41) OPRM1OPRD1OPRK1OPRL1BACE1
SCHEMBL17186960 0.80 HDAC4 (0.41) OPRM1OPRD1OPRK1OPRL1BACE1
SCHEMBL17187006 0.80 TRPA1 (0.41) OPRM1OPRD1OPRK1OPRL1BACE1
SCHEMBL3384864 0.80 CNR1 (0.46) MAPK1OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US 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-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 MAPK1 3403/4885OPRM1 3702/4885OPRD1 3394/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 MAPK1 3403/4885OPRM1 3702/4885OPRD1 3394/4885

“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.