SCHEMBL17487274

SCHEMBL17487274

CC(C)C1(O)CCC(F)(F)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL130746 0.87
SCHEMBL131272 0.80
SCHEMBL23790310 0.79 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL941164 0.77 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL13623179 0.77 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2292865 0.75
SCHEMBL17616410 0.75
SCHEMBL2295003 0.75
SCHEMBL20221293 0.74
SCHEMBL18268918 0.73 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
US-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-01-26 US disclosed
US-10800780-B2 TDO2 Inhibitors GENENTECH, INC. (US) 2020-10-13 US disclosed
US-20190016726-A1 TDO2 Inhibitors PHARMARON BEIJING CO. LTD. (CN) 2019-01-17 US disclosed
US-9931324-B2 Indolizine derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2018-04-03 US disclosed
US-9931324-B2 Indolizine derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2018-04-03 US disclosed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO disclosed
US-20170079965-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-9546166-B2 Indolizine derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2017-01-17 US disclosed
US-20160031879-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-02-04 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 (7 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-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 OPRM1 1835/4885OPRD1 1315/4885OPRK1 1623/4885
US-20190016726-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 OPRM1 1597/4885OPRD1 967/4885OPRK1 996/4885
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT OPRM1 626/4885OPRD1 1518/4885OPRK1 2051/4885
US-20170079965-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX5, P2RX4, P2RX3 OPRM1 533/4885OPRD1 654/4885OPRK1 308/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 OPRM1 1835/4885OPRD1 1315/4885OPRK1 1623/4885
US-20160031879-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX5, P2RX4, P2RX3 OPRM1 533/4885OPRD1 654/4885OPRK1 308/4885
US-10800780-B2 TDO2 Inhibitors TDO2, IDO2, IDO1 OPRM1 1597/4885OPRD1 967/4885OPRK1 996/4885

“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.