SCHEMBL3785944

SCHEMBL3785944

CN1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 2/20 0.55
OPRL1 P41146 2/20 0.55
DRD2 P14416 10/20 0.52
HTR1A P08908 3/20 0.50
DRD1 P21728 3/20 0.50
DRD5 P21918 3/20 0.50
SLC6A2 P23975 3/20 0.50
HTR2A P28223 3/20 0.50
SLC6A4 P31645 3/20 0.50
HTR7 P34969 3/20 0.50
HRH1 P35367 3/20 0.50
DRD3 P35462 3/20 0.50
HTR2B P41595 3/20 0.50
SLC6A3 Q01959 2/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10028305 0.90 OPRL1 (0.46) OPRM1OPRD1OPRK1OPRL1
SCHEMBL10424458 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL17888226 0.82 CYP2D6 (0.48) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL8261415 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL7824744 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL1284894 0.81 ALDH1A1 (0.46) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL3591425 0.81 CCR3 (0.57) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL21077856 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL578244 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL13189385 0.81 OPRL1 (0.41) 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 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-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
CN-102089279-A Biaryl PDE4 inhibitors for treating inflammation DECODE GENETICS EHF 2011-06-08 CN disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
US-4954511-A ALLEVIATING PAIN, TREATING DEPRESSION, CONVULSIONS AND HYPERTENSION HOECHST-ROUSSELL PHARMACEUTICALS INC. (US) 1990-09-04 US disclosed
US-4914204-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS, HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-04-03 US disclosed
EP-0333027-A1 4-Pentafluorophenoxypiperidines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-20 EP 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 (6 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK OPRM1 3834/4885OPRD1 2640/4885OPRK1 2023/4885
US-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 OPRM1 3702/4885OPRD1 3394/4885OPRK1 2596/4885
US-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 OPRM1 81/4885OPRD1 78/4885OPRK1 98/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885OPRD1 1381/4885OPRK1 697/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 OPRM1 3702/4885OPRD1 3394/4885OPRK1 2596/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B OPRM1 3770/4885OPRD1 3211/4885OPRK1 1854/4885

“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.