SCHEMBL4372845

SCHEMBL4372845

CC(C)(N)c1cc2ccccc2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2A6 P11509 1/20 0.50
PDPK1 O15530 1/20 0.50
SSTR4 P31391 1/20 0.43
PLAU P00749 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
HTR3A P46098 1/20 0.39
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BTK Q06187 1/20 0.34
CHEK1 O14757 1/20 0.33
MAPT P10636 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
GPR3 P46089 1/20 0.32
NQO2 P16083 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL762341 0.83 CYP1A2 (0.54) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL4370584 0.82 CYP1A2 (0.44) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL26042691 0.80 CYP1A2 (0.50) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL4367342 0.77 PDPK1 (0.47) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL11924585 0.77 CYP1A2 (0.47) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL5720524 0.77 CYP1A2 (0.50) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL31391610 0.75 CYP1A2 (0.48) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL5660630 0.75 CYP1A2 (0.48) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL5720250 0.75 CYP1A2 (0.48) CYP1A2CYP2A6PDPK1SSTR4PLAU
SCHEMBL20169188 0.74 CYP1A2 (0.44) CYP1A2CYP2A6PDPK1SSTR4PLAU

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 18 patents. 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
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-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-9789082-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2017-10-17 US disclosed
US-9789082-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2017-10-17 US disclosed
US-20170014381-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-01-19 US disclosed
US-20170014381-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-01-19 US disclosed
US-9371282-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2016-06-21 US disclosed
US-9371282-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2016-06-21 US disclosed
WO-2014184275-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 WO disclosed
US-20140343065-A1 New Somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
EP-1867654-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL NAGOYA IND SCIENCE RES INST (JP) 2014-06-11 EP disclosed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 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 (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-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 CYP1A2 3086/4885CYP2A6 900/4885PDPK1 2593/4885
US-20190269650-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 CYP1A2 3161/4885CYP2A6 891/4885PDPK1 2301/4885
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 CYP1A2 111/4885CYP2A6 658/4885PDPK1 748/4885
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 CYP1A2 3086/4885CYP2A6 900/4885PDPK1 2593/4885
US-20170014381-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 CYP1A2 3161/4885CYP2A6 891/4885PDPK1 2301/4885
US-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 CYP1A2 3086/4885CYP2A6 900/4885PDPK1 2593/4885
US-20140343065-A1 New Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 CYP1A2 3161/4885CYP2A6 891/4885PDPK1 2301/4885

“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.