SCHEMBL7897182

SCHEMBL7897182

CC(C)C1CCC(O)(C(F)(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRL1 P41146 2/20 0.33
OPRK1 P41145 1/20 0.33
HSD11B1 P28845 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL7906653 0.89 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL7919957 0.88 OPRM1 (0.37) OPRM1OPRD1OPRL1OPRK1HSD11B1
SCHEMBL22768733 0.88 OPRM1 (0.37) OPRM1OPRD1OPRL1OPRK1HSD11B1
SCHEMBL18471531 0.86 OPRM1 (0.32) OPRM1OPRD1OPRL1OPRK1
SCHEMBL23311704 0.83 HSD11B1 (0.32) HSD11B1
SCHEMBL22601340 0.83 HSD11B1 (0.32) HSD11B1
SCHEMBL20727449 0.83 HSD11B1 (0.32) HSD11B1
SCHEMBL12045359 0.82
SCHEMBL20306276 0.74
SCHEMBL12045776 0.74 CYP2C9 (0.36) HSD11B1GABRA1GABRB2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 US disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 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 (10 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-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP4K2B, PHKG1 OPRM1 3963/4885OPRD1 3441/4885OPRL1 4137/4885
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A OPRM1 4027/4885OPRD1 1656/4885OPRL1 2602/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A OPRM1 4027/4885OPRD1 1656/4885OPRL1 2602/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A OPRM1 4027/4885OPRD1 1656/4885OPRL1 2602/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A OPRM1 3915/4885OPRD1 1302/4885OPRL1 2652/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A OPRM1 2951/4885OPRD1 820/4885OPRL1 1513/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D OPRM1 1217/4885OPRD1 214/4885OPRL1 1652/4885
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B OPRM1 3995/4885OPRD1 3571/4885OPRL1 4026/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A OPRM1 1599/4885OPRD1 394/4885OPRL1 672/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B OPRM1 3995/4885OPRD1 3571/4885OPRL1 4026/4885

“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.