SCHEMBL5477927

SCHEMBL5477927

COc1cccc(CCC(O)C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.56
▸ CHRM2 P08172 2/20 0.53
▸ CHRM1 P11229 2/20 0.53
▸ CHRM3 P20309 2/20 0.53
▸ SIGMAR1 Q99720 1/20 0.50
▸ AOC3 Q16853 1/20 0.50
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ IDO1 P14902 1/20 0.47
▸ AGXT P21549 1/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ HTR2A P28223 2/20 0.47

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
SCHEMBL11991410 0.83 TAAR1 (0.62) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL6943329 0.82 CYP4F2 (0.61) ABCB1HTR1ADRD2CYP2D6
SCHEMBL10257696 0.82 ACACB (0.40) TAAR1MTNR1AMTNR1BCYP2D6
SCHEMBL10235916 0.82 CYP2D6 (0.49) CYP2D6
SCHEMBL611119 0.81 TAAR1 (0.45) TAAR1CYP2D6
SCHEMBL14979585 0.81 TAAR1 (0.42) TAAR1AOC3MTNR1AMTNR1B
SCHEMBL267087 0.80 TAAR1 (0.72) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL7604631 0.80 HTT (0.56) TAAR1
SCHEMBL21002046 0.79 AOC3 (0.57) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL723511 0.78 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210046009-A1 PROTECTING ORAL OVERDOSE WITH ABUSE DETERRENT IMMEDIATE RELEASE FORMULATIONS Grünenthal GmbH (DE) 2021-02-18 — — US disclosed
US-20200276188-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION Grünenthal GmbH (DE) 2020-09-03 — — US disclosed
US-20200268748-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION GRUNENTHAL GMBH (DE) 2020-08-27 — — US disclosed
EP-3698776-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION Grünenthal GmbH (DE) 2020-08-26 — — EP disclosed
US-10675278-B2 Crush resistant delayed-release dosage forms Grünenthal GmbH (DE) 2020-06-09 — — US disclosed
US-10624862-B2 Tamper-resistant dosage form containing ethylene-vinyl acetate polymer Grünenthal GmbH (DE) 2020-04-21 — — US disclosed
CN-105682643-B Tamper resistant dosage form containing ethylene-vinyl acetate polymer 格吕伦塔尔有限公司 2019-12-13 — — CN disclosed
US-20190111050-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION Grünenthal GmbH (DE) 2019-04-18 — — US disclosed
US-20190054081-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION Grünenthal GmbH (DE) 2019-02-21 — — US disclosed
US-20180369235-A1 CRUSH RESISTANT DELAYED-RELEASE DOSAGE FORMS Grünenthal GmbH (DE) 2018-12-27 — — US disclosed
US-9737490-B2 Tamper resistant dosage form with bimodal release profile Grünenthal GmbH (DE) 2017-08-22 — — US disclosed
US-20170112766-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION Grünenthal GmbH (DE) 2017-04-27 — — US disclosed
US-20160310487-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION GRUNENTHAL GMBH (DE) 2016-10-27 — — US disclosed
US-20160310429-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION Grünenthal GmbH (DE) 2016-10-27 — — US disclosed
US-20160184297-A1 CRUSH RESISTANT DELAYED-RELEASE DOSAGE FORMS Grünenthal GmbH (DE) 2016-06-30 — — US disclosed
US-20150164807-A1 TAMPER RESISTANT DOSAGE FORM WITH BIMODAL RELEASE PROFILE MANUFACTURED BY CO-EXTRUSION Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20140356428-A1 TAMPER RESISTANT DOSAGE FORM WITH BIMODAL RELEASE PROFILE Grünenthal GmbH (DE) 2014-12-04 — — US disclosed
US-20140112984-A1 Crush resistant delayed-release dosage forms GRUENENTHAL GMBH (DE) 2014-04-24 — — US disclosed
WO-2013111161-A2 PROCESS FOR THE PREPARATION OF 3-ARYL-2-METHYL-PROPANAMINE DERIVATIVES AND POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2013-08-01 — — WO disclosed
US-20070298091-A1 Transdermal Therapeutic System For Administering Analgesics GRUENENTHAL GMBH (DE) 2007-12-27 — — US disclosed
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