SCHEMBL6893345

SCHEMBL6893345

CC(C)(C)CC(C)(C)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL23386228 0.83 ALDH1A1 (0.37) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL15014396 0.82 ALDH1A1 (0.39) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL16284394 0.80 ALDH1A1 (0.35) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL22997176 0.80 ALDH1A1 (0.35) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL7945592 0.79 ALDH1A1 (0.37) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL17393082 0.78 ALDH1A1 (0.38) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL9921756 0.78 ALDH1A1 (0.38) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL13265474 0.77 ALDH1A1 (0.45) ALDH1A1POLB
SCHEMBL23919087 0.77 USP2 (0.34) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL5839782 0.76 ALDH1A1 (0.37) ALDH1A1POLBGAAL3MBTL1MEN1

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-20240239768-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR LG CHEM, LTD. (KR) 2024-07-18 US disclosed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
WO-2023104074-A1 NEW USE OF KINASE INHIBITOR 药捷安康(南京)科技股份有限公司 2023-06-15 WO disclosed
US-20230143502-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF TEON THERAPEUTICS, INC 2023-05-11 US disclosed
US-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG (CH) 2021-07-29 US disclosed
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis NOVARTIS AG (CH) 2020-12-10 US disclosed
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 EP disclosed
US-20190262324-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG (CH) 2019-08-29 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-20160289214-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS Grünenthal GmbH (DE) 2016-10-06 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 US disclosed
US-20150218092-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2015-08-06 US disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 US disclosed
US-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG CHEM, LTD. (KR) 2012-07-19 US disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-6248885-B1 1. TERT-OCTYLDI-N-PROPLYLAMINE. 2. TERT-OCTYL-N-MORPHOLINE-BORANE. SIGMA-ALDRICH CO. 2001-06-19 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 (13 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-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885POLB 3084/4885GAA 3910/4885
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885POLB 2553/4885GAA 3271/4885
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 ALDH1A1 2914/4885POLB 2724/4885GAA 3646/4885
US-20230143502-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF CNR2, CNR1, GPR18 ALDH1A1 3600/4885POLB 4605/4885GAA 3719/4885
US-20190262324-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885POLB 3084/4885GAA 3910/4885
US-20150218092-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 896/4885POLB 3210/4885GAA 2471/4885
US-20160289214-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS CACNA1B, CACNG2, CACNA1G ALDH1A1 3585/4885POLB 2093/4885GAA 2575/4885
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G ALDH1A1 3161/4885POLB 2447/4885GAA 1942/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR ALDH1A1 184/4885POLB 600/4885GAA 1588/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 ALDH1A1 2546/4885POLB 2917/4885GAA 3845/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885POLB 2553/4885GAA 3271/4885
US-20240239768-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR XDH, AOX1, PNPO ALDH1A1 118/4885POLB 1253/4885GAA 618/4885
US-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME XDH, PNPO, AOX1 ALDH1A1 459/4885POLB 1083/4885GAA 310/4885

“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.