SCHEMBL155343

SCHEMBL155343

C[C@H]1CC[C@@H](COc2cccnc2)N1C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.65
CHRNA4 P43681 6/20 0.65
CHRNA3 P32297 6/20 0.65
CHRNB4 P30926 5/20 0.65
CHRNB1 P11230 4/20 0.65
CHRNA7 P36544 3/20 0.65
CHRNB3 Q05901 3/20 0.65
CHRNA1 P02708 2/20 0.65
CHRNG P07510 1/20 0.52
CHRND Q07001 1/20 0.52

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
SCHEMBL7374508 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7374510 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL155974 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL8435282 1.00 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7465854 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7411186 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8437416 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7463132 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8438541 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7463126 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US claimed
EP-2611788-B1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIV FLORIDA (US) 2017-04-12 EP disclosed
EP-2611788-B1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIV FLORIDA (US) 2017-04-12 EP disclosed
US-9440948-B2 Nicotine compounds and analogs thereof, synthetic methods of making compounds, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-09-13 US disclosed
US-9440948-B2 Nicotine compounds and analogs thereof, synthetic methods of making compounds, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-09-13 US disclosed
EP-2611788-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE University of Florida Research Foundation, Incorporated (US) 2013-07-10 EP disclosed
US-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-20 US disclosed
US-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-20 US disclosed
WO-2012031220-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 WO disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 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 (1 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-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE CHRNG, CHRNB1, CHRNB2 CHRNB2 3/4885CHRNA4 11/4885CHRNA3 15/4885

“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.