SCHEMBL9094744

SCHEMBL9094744

CCOC1CN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.58
▸ CHRM2 P08172 4/20 0.58
▸ CHRM4 P08173 1/20 0.58
▸ CHRM5 P08912 1/20 0.58
▸ CHRM3 P20309 1/20 0.58
▸ MEN1 O00255 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CHRNA7 P36544 1/20 0.42

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
SCHEMBL12017242 1.00 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13300984 1.00 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL10569051 0.89 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL12674256 0.85 CHRM1 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9097759 0.83 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13038562 0.83 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11849760 0.80 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM5CHRM3
Oxalic Acid SCHEMBL10569543 0.80 CHRM1 (0.51) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9289352 0.79 CHRM2 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL96686 0.79 CHRM2 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 — — US disclosed
US-20180078536-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2018-03-22 — — US disclosed
US-9849117-B2 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists NOVARTIS AG (CH) 2017-12-26 — — US disclosed
US-20170112814-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2017-04-27 — — US disclosed
US-9567343-B2 Aza-bicyloalkyl ethers and their use as alpha7-nachr agonists NOVARTIS AG (CH) 2017-02-14 — — US disclosed
US-20150183794-A1 AZA-BICYLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2015-07-02 — — US disclosed
US-8236803-B2 Aza-bicycloalkyl ethers and their use as alpha7-nAChR agonists NOVARTIS AG (CH) 2012-08-07 — — US disclosed
US-8044198-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-25 — — US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 — — US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 — — US disclosed
US-20090054446-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG 2009-02-26 — — US disclosed
US-5508405-A CHOLINERGIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1996-04-16 — — US disclosed
US-5451587-A 3-(2-PROPYNYLOXY)-1-AZABICYCLO(2.2.2)OCTANE FOR TREATING ALZHEIMER*S DISEASE BOEHRINGER INGELHEIM GMBH (DE) 1995-09-19 — — US disclosed
US-5286864-A Deprotonation and salt formation with sodium hydride; alkylation, deprotecting BOEHRINGER INGELHEIM KG (DE) 1994-02-15 — — US disclosed
EP-0370415-B1 QUINUCLIDINES, THEIR PHARMACEUTICAL USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM KG (DE) 1993-06-02 — — EP disclosed
EP-0370415-A1 Quinuclidines, their pharmaceutical use and process for their preparation BOEHRINGER INGELHEIM KG (DE) 1990-05-30 — — 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 (8 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-20150183794-A1 AZA-BICYLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE CHRM1 19/4885CHRM2 21/4885CHRM4 20/4885
US-20170112814-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE CHRM1 18/4885CHRM2 21/4885CHRM4 20/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 CHRM1 4409/4885CHRM2 4269/4885CHRM4 4418/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT CHRM1 2200/4885CHRM2 1932/4885CHRM4 1364/4885
US-20180078536-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE CHRM1 18/4885CHRM2 21/4885CHRM4 20/4885
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRM1 3638/4885CHRM2 4042/4885CHRM4 3791/4885
US-20090054446-A1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS CHRNA7, CHRNA1, CHRNE CHRM1 18/4885CHRM2 21/4885CHRM4 20/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRM1 3780/4885CHRM2 4407/4885CHRM4 4253/4885

“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.

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