SCHEMBL12435217

SCHEMBL12435217

CN1CCCC(CN2CCCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.58
ADRA2C P18825 1/20 0.58
ACHE P22303 1/20 0.45
KCNH2 Q12809 5/20 0.45
HRH3 Q9Y5N1 3/20 0.45
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD1 P21728 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
ABCB11 O95342 1/20 0.45
CHRM4 P08173 1/20 0.45
ADRA2B P18089 1/20 0.45
CHRM3 P20309 1/20 0.45
PTGS1 P23219 1/20 0.45
ADRA1D P25100 1/20 0.45

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
SCHEMBL30584855 1.00 CHRM5 (0.58) CHRM5ADRA2CACHEKCNH2HRH3
SCHEMBL13202734 0.98 CHRM5 (0.61) CHRM5ADRA2CACHEKCNH2HRH3
Hydrochloric Acid SCHEMBL8900782 0.98 CHRM5 (0.56) CHRM5ADRA2CACHEKCNH2HRH3
SCHEMBL22953689 0.98 CHRM5 (0.61) CHRM5ADRA2CACHEKCNH2HRH3
SCHEMBL10071718 0.98 CHRM5 (0.61) CHRM5ADRA2CACHEKCNH2HRH3
SCHEMBL10070997 0.98 CHRM5 (0.61) CHRM5ADRA2CACHEKCNH2HRH3
SCHEMBL19853554 0.94 CHRM5 (0.57) CHRM5ADRA2CACHEKCNH2HRH3
SCHEMBL18898074 0.94 CHRM5 (0.68) CHRM5ADRA2CACHEKCNH2HRH3
SCHEMBL12359083 0.89 KCNH2 (0.45) CHRM5ADRA2CACHEKCNH2HRH3
SCHEMBL25696091 0.89 KCNH2 (0.45) CHRM5ADRA2CACHEKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
EP-3464260-B1 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS UNIV MUENCHEN TECH (DE) 2021-10-27 EP disclosed
WO-2021026307-A1 PROCESSES FOR THE PREPARATION OF ROXADUSTAT AND INTERMEDIATES THEREOF TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2021-02-11 WO disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
US-20200325128-A1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER Argonaut Therapeutics Limited (GB) 2020-10-15 US disclosed
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
EP-2240458-B1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 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 (3 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 CHRM5 3832/4885ADRA2C 4444/4885ACHE 3836/4885
US-20200325128-A1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER PRMT5, PRMT6, PRMT1 CHRM5 2593/4885ADRA2C 4691/4885ACHE 3853/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 CHRM5 3832/4885ADRA2C 4444/4885ACHE 3836/4885

“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.