SCHEMBL4397664

SCHEMBL4397664

CN1CCC(c2cccnc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.62
CHRNA7 P36544 3/20 0.57
CHRNB2 P17787 3/20 0.57
CHRNA4 P43681 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CHRNB4 P30926 2/20 0.57
CHRNA3 P32297 2/20 0.57
CHRNA2 Q15822 2/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTR3E A5X5Y0 1/20 0.57
PSIP1 O75475 1/20 0.57
TRPA1 O75762 1/20 0.57
HTR3B O95264 1/20 0.57
CHRNA1 P02708 1/20 0.57
CHRNG P07510 1/20 0.57
MAPT P10636 1/20 0.57
CHRNB1 P11230 1/20 0.57
CYP2A6 P11509 1/20 0.57
PTGS1 P23219 1/20 0.57

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
SCHEMBL29351735 1.00 CYP11B2 (0.62) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL13006578 0.90 CYP11B2 (0.54) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL594413 0.90 CYP11B2 (0.54) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL29384803 0.90 CYP11B2 (0.54) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL990213 0.82
SCHEMBL29848157 0.82
SCHEMBL6985572 0.82 CYP11B2 (0.62) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL11546704 0.81 CYP11B2 (0.56) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL13841158 0.81 CYP11B2 (0.57) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL13842724 0.81 CYP11B2 (0.57) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed
WO-2022258622-A1 COMBINATION TREATMENT OF CANCER ARES TRADING S.A. (CH) 2022-12-15 WO disclosed
EP-3828174-A1 PYRIDAZINONE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-02 EP disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 WO disclosed
EP-2773207-B1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-03-07 EP disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
CN-103038233-A Pyridone and azapyridone compounds and methods of use GILEAD CONNECTICUT INC 2013-04-10 CN disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
US-8173664-B2 Modified pyrimidine glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2012-05-08 US disclosed
WO-2010130424-A9 1,2,4-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-27 WO disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
US-20090275600-A1 MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2009-11-05 US disclosed
US-7576076-B2 Modified pyrimidine glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2009-08-18 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 (5 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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 CYP11B2 3147/4885CHRNA7 120/4885CHRNB2 162/4885
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS IRAK4, IRAK1, IRAK2 CYP11B2 3329/4885CHRNA7 4073/4885CHRNB2 4727/4885
US-20090275600-A1 MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, TYMS CYP11B2 74/4885CHRNA7 2616/4885CHRNB2 2823/4885
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRM2, GRM3, GRM1 CYP11B2 696/4885CHRNA7 122/4885CHRNB2 133/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C CYP11B2 554/4885CHRNA7 80/4885CHRNB2 83/4885

“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.