SCHEMBL1848113

SCHEMBL1848113

CN1[C@@H]2CCC[C@H]1CC2.[N]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
CHRM4 P08173 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRNB2 P17787 1/20 0.33
HRH1 P35367 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL12955575 0.97
SCHEMBL44881 0.97
SCHEMBL22311884 0.97
SCHEMBL14434380 0.97
SCHEMBL44882 0.97
Iodide SCHEMBL5266075 0.93 MAPK1 (0.52) MAPK1LMNACYP2C9CHRM4CHRNB4
Charcoal, Activated SCHEMBL11101400 0.93 MAPK1 (0.52) MAPK1LMNACYP2C9CHRM4CHRNB4
Ammonia Solution, Strong SCHEMBL7267571 0.93 MAPK1 (0.52) MAPK1LMNACYP2C9CHRM4CHRNB4
Hydrochloric Acid SCHEMBL16245108 0.93 MAPK1 (0.52) MAPK1LMNACYP2C9CHRM4CHRNB4
Hydrochloric Acid SCHEMBL16245107 0.93 MAPK1 (0.52) MAPK1LMNACYP2C9CHRM4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-06-15 US disclosed
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 US disclosed
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-01-28 US disclosed
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 US disclosed
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-10 US disclosed
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-13 US disclosed
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-04-25 US disclosed
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-09-25 US disclosed
US-20170349578-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-07 US disclosed
US-20170239346-A1 NOVEL COCAINE HAPTENS AND NANOFIBER-BASED COCAINE VACCINES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-24 US disclosed
EP-0944625-A1 8-AZABICYCLO 3.2.1]OCTANE-, 8-AZABICYCLO 3.2.1]OCT-6-ENE-, 9-AZABICYCLO 3.3.1]NONANE-, 9-AZA-3-OXABICYCLO 3.3.1]NONANE-, 9-AZA-3-THIABICYCLO 3.3.1]NONANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 1999-09-29 EP disclosed
US-5948658-A CATALYTIC ANTIBODIES HAVE UNIQUE POTENTIAL FOR THE TREATMENT OF COCAINE ADDICTION AND OVERDOSE. THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1999-09-07 US disclosed
US-5912254-A BIS(8-AZABICYCLO(3.2.1)OCTANE) DERIVATIVES, PESTICIDES ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5876727-A TREATING NICOTINE ADDICTION IMMULOGIC PHARMACEUTICAL CORPORATION (US) 1999-03-02 US disclosed
WO-1998022462-A1 8-AZABICYCLO[3.2.1]OCTANE-, 8-AZABICYCLO[3.2.1]OCT-6-ENE-, 9-AZABICYCLO[3.3.1]NONANE-, 9-AZA-3-OXABICYCLO[3.3.1]NONANE-, 9-AZA-3-THIABICYCLO[3.3.1]NONANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 1998-05-28 WO disclosed
WO-1997049800-A1 ANTI-COCAINE CATALYTIC ANTIBODY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-12-31 WO disclosed
EP-0642507-A4 CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME. 1995-03-29 EP disclosed
EP-0642507-A1 CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME The Trustees of Columbia University in the City of New York (US) 1995-03-15 EP disclosed
WO-1993020076-A1 CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1993-10-14 WO disclosed
US-4432983-A GASTRIC ACID INHIBITORS RESEARCH CORPORATION (US) 1984-02-21 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-20170349578-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 MAPK1 1073/4885LMNA 4153/4885CYP2C9 593/4885
US-20170239346-A1 NOVEL COCAINE HAPTENS AND NANOFIBER-BASED COCAINE VACCINES CCL2, CES2, CCR3 MAPK1 348/4885LMNA 4330/4885CYP2C9 3717/4885

“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.