SCHEMBL669989

SCHEMBL669989

CC(C)(C)OC(=O)N1C2CCC1C(c1ccc(N)nc1)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
PREP P48147 2/20 0.39
HDAC1 Q13547 1/20 0.39
GPR119 Q8TDV5 2/20 0.38

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
SCHEMBL8299717 0.87 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1721601 0.82 CHRM2 (0.41) CHRM2CHRM1CHRM3PREPHDAC1
SCHEMBL1722273 0.82 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1723133 0.82 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL10064461 0.81 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1721264 0.81 GPR119 (0.48) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL17075349 0.80 GPR119 (0.43) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL15006984 0.79 GPR119 (0.38) CHRM2CHRM1CHRM3HDAC1GPR119
SCHEMBL10139275 0.79 HCRTR1 (0.42) CHRM2CHRM1CHRM3HDAC1GPR119
Iodide SCHEMBL17075351 0.79 EIF2AK4 (0.39) CHRM2CHRM1CHRM3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284322-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2016-03-15 US disclosed
US-9284322-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2016-03-15 US disclosed
US-20150307502-A9 NICOTINIC RECEPTOR COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-29 US disclosed
US-20150307502-A9 NICOTINIC RECEPTOR COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-29 US disclosed
US-9150581-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-9150581-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2015-06-04 US disclosed
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2015-06-04 US disclosed
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2015-06-04 US disclosed
US-8981102-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-03-17 US disclosed
WO-2012024615-A1 NICOTINIC RECEPTOR COMPOUNDS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-23 WO disclosed
EP-2404923-A1 7-azabicyclo[2.2.1]heptane derivatives useful for promoting smoking cessation RESEARCH TRIANGLE INSTITUTE (US) 2012-01-11 EP disclosed
US-20090318490-A1 COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION RESEARCH TRIANGLE INSITUTE (US) 2009-12-24 US disclosed
US-7615567-B2 Compounds and methods for promoting smoking cessation RESEARCH TRIANGLE INSTITUTE (US) 2009-11-10 US disclosed
US-20060069111-A1 Compounds and methods for promoting smoking cessation RESEARCH TRIANGLE INSITUTE (US) 2006-03-30 US disclosed
EP-1351684-A4 COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION RES TRIANGLE INST (US) 2005-01-19 EP disclosed
EP-1351684-A2 COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION Research Triangle Institute (US) 2003-10-15 EP disclosed
US-20030176434-A1 Compounds and methods for promoting smoking cessation RESEARCH TRIANGLE INSITUTE 2003-09-18 US disclosed
US-6538010-B1 Compounds may be used to treat a variety of other conditions and disease states and reagents for preventing smoking addiction. The present invention also relates to methods and reagents for treating nicotine addiction. RESEARCH TRIANGLE INSTITUTE 2003-03-25 US disclosed
WO-2002037927-A2 COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION RESEARCH TRIANGLE INSTITUTE (US) 2002-05-16 WO 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 (5 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-20060069111-A1 Compounds and methods for promoting smoking cessation BHMT2, CBS, NNMT CHRM2 420/4885CHRM1 711/4885CHRM3 522/4885
US-20150307502-A9 NICOTINIC RECEPTOR COMPOUNDS CHRNB4, CHRNA4, CHRNB2 CHRM2 28/4885CHRM1 32/4885CHRM3 27/4885
US-20090318490-A1 COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION BHMT2, CBS, NNMT CHRM2 420/4885CHRM1 711/4885CHRM3 522/4885
US-20030176434-A1 Compounds and methods for promoting smoking cessation BHMT2, CBS, NNMT CHRM2 420/4885CHRM1 711/4885CHRM3 522/4885
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNG, CHRNA7, CHRNA2 CHRM2 19/4885CHRM1 23/4885CHRM3 16/4885

“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.