SCHEMBL6544059

SCHEMBL6544059

COc1ccc[c]c1CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.44
SLC6A2 P23975 6/20 0.44
SLC6A3 Q01959 5/20 0.44
HTR7 P34969 5/20 0.42
HTR2A P28223 3/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL64882 0.79 CA1 (0.42) CA12CA1CA2CA4CA7
SCHEMBL1526352 0.77 CA1 (0.41) CA12CA1CA2CA4CA7
SCHEMBL4586248 0.77 TAAR1 (0.41) HTR2AHTR2CHTR2BCA12CA1
SCHEMBL28069112 0.77 CA1 (0.41) CA12CA1CA2CA4CA7
SCHEMBL6203845 0.77 CA1 (0.41) CA12CA1CA2CA4CA7
SCHEMBL7838938 0.76 CA1 (0.39) HTR1ACA12CA1CA2CA4
SCHEMBL5178854 0.75 TSHR (0.37) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL18706055 0.74 HTR7 (0.42) SLC6A4SLC6A2SLC6A3HTR7HTR2A
SCHEMBL8480841 0.74 ENPP2 (0.38) CA12CA1CA2CA4CA7
SCHEMBL12816605 0.74 CA1 (0.38) CA12CA1CA2CA4CA7

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
WO-2003078380-A2 PROCESS FOR PREPARING TRAMADOL HYDROCHLORIDE AND/OR TRAMADOL MOMOHYDRATE JUBILANT ORGANOSYS LTD (GB) 2003-09-25 WO claimed
US-20230157991-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ACUTE AND CHRONIC PAIN, CONTAINING POLMACOXIB AND TRAMADOL CRYSTALGENOMICS INC (KR) 2023-05-25 US disclosed
US-20200276152-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ACUTE AND CHRONIC PAIN, CONTAINING POLMACOXIB AND TRAMADOL CRYSTALGENOMICS, INC. (KR) 2020-09-03 US disclosed
EP-3682876-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ACUTE AND CHRONIC PAIN, CONTAINING POLMACOXIB AND TRAMADOL Crystalgenomics, Inc. (KR) 2020-07-22 EP disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
CN-107648228-A Compound that a kind of Parecoxib Sodium forms with tramadol hydrochloride and application thereof 珠海赛隆药业股份有限公司 2018-02-02 CN disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
CN-106214671-A A kind of preparation containing tramadol hydrochloride and acetaminophen and preparation method thereof 山西好医生药业有限公司 2016-12-14 CN disclosed
EP-1077923-B1 AN IMPROVED SYNTHESIS AND PURIFICATION OF (R*,R*)-2- (DIMETHYLAMINO) METHYL]-1-( 3-METHOXYPHENYL) CYCLOHEXANOL HYDROCHLORIDE MALLINCKRODT INC (US) 2004-01-02 EP disclosed
EP-1077923-A1 AN IMPROVED SYNTHESIS AND PURIFICATION OF (R*,R*)-2- (DIMETHYLAMINO) METHYL]-1-( 3-METHOXYPHENYL) CYCLOHEXANOL HYDROCHLORIDE Mallinckrodt Inc. (US) 2001-02-28 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 (3 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 SLC6A4 1244/4885SLC6A2 1484/4885SLC6A3 415/4885
US-20230157991-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ACUTE AND CHRONIC PAIN, CONTAINING POLMACOXIB AND TRAMADOL PTGES3, PTGER3, PTGER1 SLC6A4 1368/4885SLC6A2 1690/4885SLC6A3 1650/4885
US-20200276152-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ACUTE AND CHRONIC PAIN, CONTAINING POLMACOXIB AND TRAMADOL PTGES3, PTGER3, PTGER1 SLC6A4 1486/4885SLC6A2 1711/4885SLC6A3 1675/4885

“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.