SCHEMBL174089

SCHEMBL174089

Cc1noc(C2CCCN2)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.49
CHRM2 P08172 4/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41

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
SCHEMBL951881 1.00 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
SCHEMBL15934142 1.00 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12332018 0.95 NR1H4 (0.50) NR1H4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL19746025 0.93 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL19746266 0.93 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL19746268 0.93 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL16400391 0.93 NR1H4 (0.49) NR1H4CHRM2CHRM4CHRM5CHRM1
SCHEMBL17464833 0.87 CHRM2 (0.44) NR1H4CHRM2
SCHEMBL15934209 0.87 CHRM2 (0.44) NR1H4CHRM2
Trifluoroacetic Acid SCHEMBL953944 0.86 NR1H4 (0.40) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084981-A1 Bromodomain Inhibitors ABBVIE INC (US) 2019-03-21 US disclosed
US-10131657-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-11-20 US disclosed
US-9957263-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-05-01 US disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
US-20160272630-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-09-22 US disclosed
US-20160185769-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-06-30 US disclosed
EP-3013827-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 EP disclosed
EP-3013828-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 EP disclosed
CN-105531273-A Bromodomain inhibitors ABBVIE INC 2016-04-27 CN disclosed
CN-105518007-A BROMODOMAIN INHIBITORS ABBVIE INC 2016-04-20 CN disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (7 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 NR1H4 1961/4885CHRM2 38/4885CHRM4 109/4885
US-20190084981-A1 Bromodomain Inhibitors BRD4, BRD1, BRD3 NR1H4 1502/4885CHRM2 295/4885CHRM4 585/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 NR1H4 2095/4885CHRM2 161/4885CHRM4 596/4885
US-10131657-B2 Bromodomain inhibitors BRD1, BRD4, BRD3 NR1H4 1415/4885CHRM2 272/4885CHRM4 556/4885
US-20160272630-A1 Bromodomain Inhibitors BRD4, BRDT, EP300 NR1H4 819/4885CHRM2 3610/4885CHRM4 4044/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 NR1H4 1342/4885CHRM2 3953/4885CHRM4 4698/4885
US-20160185769-A1 Bromodomain Inhibitors BRD1, BRD4, BRD3 NR1H4 1415/4885CHRM2 272/4885CHRM4 556/4885

“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.