SCHEMBL2079404

SCHEMBL2079404

Nc1ccccc1C1(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
PDK2 Q15119 1/20 0.39
OPRL1 P41146 11/20 0.39
OPRM1 P35372 10/20 0.39
OPRK1 P41145 10/20 0.39
OPRD1 P41143 9/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29710660 0.91 ALOX15 (0.38) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL1703171 0.91 ALOX15 (0.38) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL7102084 0.91 ALOX15 (0.38) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL632646 0.89 OPRM1 (0.37) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL7101793 0.89 OPRM1 (0.37) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL8222575 0.86 SIGMAR1 (0.57) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL92778 0.82 OPRM1 (0.45) SMN1; SMN2OPRL1OPRM1OPRK1OPRD1
SCHEMBL83658 0.82 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1
SCHEMBL21232438 0.80 ALOX15 (0.36) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL29060516 0.76 OPRM1 (0.59) SIGMAR1PDK2OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 US disclosed
WO-2021254453-A1 AMINOPYRIDINE COMPOUND 南京明德新药研发有限公司 2021-12-23 WO disclosed
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed
US-20210252005-A1 ERBB/BTK INHIBITORS DIZAL (SHANGHAI) PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
US-11007198-B2 ErbB/BTK inhibitors DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-05-18 US disclosed
US-20200316079-A1 ERBB/BTK INHIBITORS DIZAL (SHANGHAI) PHARMACEUTICAL CO., LTD. (CN) 2020-10-08 US disclosed
WO-2019149164-A1 ERBB/BTK INHIBITORS DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2019-08-08 WO disclosed
EP-1856070-B1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
US-20110053926-A1 New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20100233268-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-20080070909-A1 ENANTIOMERICALLY PURE BETA AGONISTS, MANUFACTURING AND USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-20 US disclosed
US-20080053430-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA AGONISTS NOWAK MICHAEL 2008-03-06 US disclosed
WO-2008023001-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008023005-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008023003-A1 DRUG COMBINATIONS FOR TREATING AIRWAY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008023004-A1 SINGLE ENANTIOMER BETA AGONISTS METHOD FOR PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-20080051392-A1 PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES KONETZKI INGO 2008-02-28 US disclosed
EP-1856070-A1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-11-21 EP disclosed
WO-2006089859-A1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 WO disclosed
US-20060189605-A1 NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 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 (10 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-20100233268-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS ADRB2, ADRB3, ADRB1 ALOX15 2481/4885CYP3A4 509/4885CASP1 4714/4885
US-20210252005-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 ALOX15 4566/4885CYP3A4 3778/4885CASP1 4163/4885
US-20060189605-A1 NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES CFTR, SDHA, HRH1 ALOX15 1144/4885CYP3A4 338/4885CASP1 2420/4885
US-11007198-B2 ErbB/BTK inhibitors ERBB2, BTK, ERBB3 ALOX15 4566/4885CYP3A4 3778/4885CASP1 4163/4885
US-20080053430-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA AGONISTS ADRB1, ADRB2, ADRB3 ALOX15 2962/4885CYP3A4 1522/4885CASP1 3121/4885
US-20080070909-A1 ENANTIOMERICALLY PURE BETA AGONISTS, MANUFACTURING AND USE THEREOF ADRB1, ADRB2, ADRB3 ALOX15 2387/4885CYP3A4 239/4885CASP1 3430/4885
US-20200316079-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 ALOX15 4566/4885CYP3A4 3778/4885CASP1 4163/4885
US-20110053926-A1 New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases CFTR, SDHA, HRH1 ALOX15 1144/4885CYP3A4 338/4885CASP1 2420/4885
US-20080051392-A1 PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM2, CFTR, TPSB2 ALOX15 2467/4885CYP3A4 363/4885CASP1 2624/4885
US-20230293535-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 ALOX15 4566/4885CYP3A4 3778/4885CASP1 4163/4885

“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.