SCHEMBL9923685

SCHEMBL9923685

c1cc2c(nn1)CCCO2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
ACHE P22303 2/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL30323280 0.73 ITGB2 (0.31) ITGB2ICAM1ITGAL
SCHEMBL13573 0.72 RIPK1 (0.40) ACHECTNNB1WNT3AITGB2ICAM1
SCHEMBL30341141 0.72 RIPK1 (0.40) ACHECTNNB1WNT3AITGB2ICAM1
SCHEMBL13178099 0.68 ITGB2 (0.39) CTNNB1WNT3AITGB2ICAM1ITGAL
SCHEMBL14776 0.68 ACHE (0.33) CLK1DYRK1ADYRK1BACHECTNNB1
SCHEMBL13193653 0.67 ACHE (0.33) DYRK1AACHECYP11B2
SCHEMBL15961015 0.67 TSHR (0.41)
SCHEMBL20897959 0.67 ITGB2 (0.38) ACHECTNNB1WNT3AITGB2ICAM1
SCHEMBL17239844 0.67
SCHEMBL15343245 0.67 RAB9A (0.36) CLK1DYRK1ADYRK1BACHECTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2020-06-09 US disclosed
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP disclosed
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-03 US disclosed
US-20190269650-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-09-05 US disclosed
US-10183940-B2 Aryl and heteroaryl-fused tetrahydro-1,4-oxazepine amides as somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-22 US disclosed
US-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2019-01-01 US disclosed
US-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2018-04-05 US disclosed
US-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2018-04-05 US disclosed
EP-2997021-B1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS CENTREXION THERAPEUTICS CORP (US) 2017-12-20 EP disclosed
US-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-09 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE SCHERING CORPORATION (US) 2012-08-02 US disclosed
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE SCHERING CORPORATION (US) 2012-08-02 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 US disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 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 (11 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-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 CLK1 4551/4885DYRK1A 2355/4885DYRK1B 2739/4885
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, APP, BACE2 CLK1 4084/4885DYRK1A 3461/4885DYRK1B 3406/4885
US-20190269650-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 CLK1 4486/4885DYRK1A 2164/4885DYRK1B 2500/4885
US-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR1, SSTR3 CLK1 4220/4885DYRK1A 2763/4885DYRK1B 2897/4885
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR1, SSTR3 CLK1 4220/4885DYRK1A 2763/4885DYRK1B 2897/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP CLK1 1453/4885DYRK1A 1745/4885DYRK1B 1634/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 CLK1 1861/4885DYRK1A 450/4885DYRK1B 425/4885
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 CLK1 4551/4885DYRK1A 2355/4885DYRK1B 2739/4885
US-10183940-B2 Aryl and heteroaryl-fused tetrahydro-1,4-oxazepine amides as somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR5 CLK1 3990/4885DYRK1A 1253/4885DYRK1B 1282/4885
US-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 CLK1 4551/4885DYRK1A 2355/4885DYRK1B 2739/4885
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 CLK1 3449/4885DYRK1A 1309/4885DYRK1B 1130/4885

“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.