SCHEMBL1425327

SCHEMBL1425327

O=C(O)Cc1cccc(Nc2c(Cl)cccc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.54
▸ NR1H4 Q96RI1 2/20 0.54
▸ TTR P02766 2/20 0.54
▸ AKR1B10 O60218 1/20 0.54
▸ UGT1A9 O60656 1/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ MT-CO2 P00403 1/20 0.54
▸ ALB P02768 1/20 0.54
▸ CXCL8 P10145 1/20 0.54
▸ UGT1A6 P19224 1/20 0.54
▸ UGT1A1 P22309 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ CXCR1 P25024 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ AGTR2 P50052 1/20 0.54
▸ NR1I3 Q14994 1/20 0.54
▸ SLC22A6 Q4U2R8 1/20 0.54
▸ UGT1A7 Q9HAW7 1/20 0.54
▸ UGT1A10 Q9HAW8 1/20 0.54

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
SCHEMBL4786132 0.85 TTR (0.60) PTGS2NR1H4TTRAKR1B10UGT1A9
SCHEMBL13802509 0.85 CXCL8 (0.57) PTGS2NR1H4TTRAKR1B10UGT1A9
SCHEMBL6277797 0.84 GAA (0.60) PTGS2NR1H4TTRAKR1B10UGT1A9
SCHEMBL2468368 0.82 AKR1B1 (0.57) NR1H4SELPSELEHPSEAKR1B1
SCHEMBL4217521 0.81 SELP (0.49) NR1H4SELPSELEHPSEAKR1B1
SCHEMBL7164965 0.81 CYP3A4 (0.59) NR1H4SELPSELEHPSEAKR1B1
SCHEMBL10439857 0.80 TOP2A (0.56) —
SCHEMBL10439650 0.78 RAPGEF4 (0.41) PTGS2NR1H4TTRAKR1B10UGT1A9
SCHEMBL10439645 0.77 RAPGEF4 (0.42) PTGS2NR1H4TTRAKR1B10UGT1A9
SCHEMBL13370136 0.76 SELP (0.56) NR1H4SELPSELEHPSEAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105561311-B Pharmaceutical composition comprising 3- (3- dimethylamino -1- Ethyl-2-Methyl-propyl)-phenol and NSAID 格吕伦塔尔有限公司 2019-07-16 — — CN disclosed
US-20160361276-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2016-12-15 — — US disclosed
US-20160045459-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2016-02-18 — — US disclosed
US-20130267602-A1 MOISTURE RESISTANT CONTAINER SYSTEMS FOR RAPIDLY BIOAVAILABLE DOSAGE FORMS APR APPLIED PHARMA RESEARCH, S.A. (CH) 2013-10-10 — — US disclosed
US-20130267602-A1 MOISTURE RESISTANT CONTAINER SYSTEMS FOR RAPIDLY BIOAVAILABLE DOSAGE FORMS APR APPLIED PHARMA RESEARCH, S.A. (CH) 2013-10-10 — — US disclosed
US-20130190333-A1 Pharmaceutical Combination GRUENENTHAL GMBH (DE) 2013-07-25 — — US disclosed
US-8097267-B2 Moisture resistant container systems for rapidly bioavailable dosage forms APR APPLIED PHARMA RESEARCH S.A. (CH) 2012-01-17 — — US disclosed
US-8097267-B2 Moisture resistant container systems for rapidly bioavailable dosage forms APR APPLIED PHARMA RESEARCH S.A. (CH) 2012-01-17 — — US disclosed
US-20110105443-A1 SALTS OF MEMANTINE AND COX-INHIBITORS AND THEIR CRYSTAL FORM IN THE TREATMENT OF PAIN LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2011-05-05 — — US disclosed
US-20110105443-A1 SALTS OF MEMANTINE AND COX-INHIBITORS AND THEIR CRYSTAL FORM IN THE TREATMENT OF PAIN LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2011-05-05 — — US disclosed
US-20110105613-A1 MOISTURE RESISTANT CONTAINER SYSTEMS FOR RAPIDLY BIOAVAILABLE DOSAGE FORMS APR APPLIED PHARMA RESARCH SA (CH) 2011-05-05 — — US disclosed
US-20110105613-A1 MOISTURE RESISTANT CONTAINER SYSTEMS FOR RAPIDLY BIOAVAILABLE DOSAGE FORMS APR APPLIED PHARMA RESARCH SA (CH) 2011-05-05 — — US disclosed
EP-2012763-B1 PHARMACEUTICAL COMBINATION COMPRISING 3- (3-DIMETHYLAMIN0-1-ETHYL-2-METHYL-PR0PYL) -PHENOL AND AN NSAID GRUENENTHAL GMBH (DE) 2011-03-23 — — EP disclosed
WO-2009109401-A1 SALTS OF MEMANTINE AND COX-INHIBITORS AND THEIR CRYSTALFORM IN THE TREATMENT OF PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-09-11 — — WO disclosed
US-20090099138-A1 NSAIDs and tapentadol; synergistic pain relief GRUENENTHAL GMBH (DE) 2009-04-16 — — US disclosed
EP-2012763-A1 PHARMACEUTICAL COMBINATION COMPRISING 3- (3-DIMETHYLAMIN0-1-ETHYL-2-METHYL-PR0PYL) -PHENOL AND AN NSAID Grünenthal GmbH (DE) 2009-01-14 — — EP disclosed
WO-2007128412-A1 PHARMACEUTICAL COMBINATION COMPRISING 3- (3-DIMETHYLAMIN0-1-ETHYL-2-METHYL-PR0PYL) -PHENOL AND AN NSAID Grünenthal GmbH (DE) 2007-11-15 — — WO disclosed
EP-0377896-A2 Cyclooxygenase and 5-lipoxygenase inhibiting hydroxamic acid derivatives CIBA-GEIGY AG (CH) 1990-07-18 — — 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 (6 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-20110105613-A1 MOISTURE RESISTANT CONTAINER SYSTEMS FOR RAPIDLY BIOAVAILABLE DOSAGE FORMS CYP2D6, ABCG2, CYP2C19 PTGS2 17/4885NR1H4 4238/4885TTR 683/4885
US-20160361276-A1 Pharmaceutical Combination MC2R, PTGER2, PTGER1 PTGS2 8/4885NR1H4 954/4885TTR 2743/4885
US-20110105443-A1 SALTS OF MEMANTINE AND COX-INHIBITORS AND THEIR CRYSTAL FORM IN THE TREATMENT OF PAIN OPRK1, GRIN2A, HTR2A PTGS2 29/4885NR1H4 2856/4885TTR 2054/4885
US-20160045459-A1 Pharmaceutical Combination MC2R, PTGER2, PTGER1 PTGS2 8/4885NR1H4 954/4885TTR 2743/4885
US-20130190333-A1 Pharmaceutical Combination MC2R, PTGER2, PTGER1 PTGS2 8/4885NR1H4 954/4885TTR 2743/4885
US-20090099138-A1 NSAIDs and tapentadol; synergistic pain relief PTGS1, OPRL1, PTGES3 PTGS2 5/4885NR1H4 975/4885TTR 1317/4885

“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.

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