SCHEMBL3065653

SCHEMBL3065653

CCC(C)(c1cccc(O)c1)C(C)(C)CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.43
ENPP2 Q13822 1/20 0.40
TAAR1 Q96RJ0 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
LMNA P02545 1/20 0.37
CA5A P35218 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
OPRM1 P35372 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
Hydrochloric Acid SCHEMBL2284498 0.98 KIF11 (0.42) KIF11ENPP2TAAR1ESR1ESR2
SCHEMBL3978037 0.78 TAAR1 (0.57) KIF11ENPP2TAAR1ESR1ESR2
SCHEMBL27715400 0.77 KIF11 (0.46) KIF11ENPP2ESR1ESR2ALDH1A1
Hydrochloric Acid SCHEMBL5800348 0.77 TAAR1 (0.55) KIF11ENPP2TAAR1ESR1ESR2
SCHEMBL31441290 0.77 ESR1 (0.41) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL1767723 0.77 ESR1 (0.41) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL13930904 0.76 ESR1 (0.44) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL31215161 0.76 LMNA (0.44) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL825377 0.76 LMNA (0.44) KIF11ESR1ESR2ALDH1A1CYP3A4
SCHEMBL11783483 0.76 ALDH1A1 (0.44) KIF11ESR1ESR2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007156-B2 Prolonged release pharmaceutical composition containing 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)phenol GRUENENTHAL GMBH (DE) 2021-05-18 US claimed
US-20200038344-A1 PROLONGED RELEASE PHARMACEUTICAL COMPOSITION CONTAINING 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)PHENOL GRUENENTHAL GMBH (DE) 2020-02-06 US claimed
EP-2046724-B1 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2014-08-20 EP claimed
US-11007156-B2 Prolonged release pharmaceutical composition containing 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)phenol GRUENENTHAL GMBH (DE) 2021-05-18 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-10632195-B2 Pharmaceutical device for electric-field assisted administration of Tapentadol and method of administering Tapentadol with same GRUENENTHAL GMBH (DE) 2020-04-28 US disclosed
US-20200038344-A1 PROLONGED RELEASE PHARMACEUTICAL COMPOSITION CONTAINING 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)PHENOL GRUENENTHAL GMBH (DE) 2020-02-06 US disclosed
US-20200030317-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION Grünenthal GmbH (DE) 2020-01-30 US disclosed
US-20180369237-A1 Tamper-resistant dosage form with immediate release and resistance against solvent extraction Grünenthal GmbH (DE) 2018-12-27 US disclosed
US-20180078544-A1 TAMPER-RESISTANT DOSAGE FORM WITH IMMEDIATE RELEASE AND RESISTANCE AGAINST SOLVENT EXTRACTION Grünenthal GmbH (DE) 2018-03-22 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
EP-2424514-B1 TAPENTADOL FOR TREATING RHEUMATOID ARTHRITIC PAIN GRUENENTHAL GMBH (DE) 2017-02-22 EP disclosed
US-9394250-B2 Substituted pyrrolidines as factor xia inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2016-07-19 US disclosed
US-20150148735-A1 Electric-Field Assisted Administration of Tapentadol GRUENENTHAL GMBH (DE) 2015-05-28 US disclosed
US-20100227921-A1 AMINO ACID AND PEPTIDE CARBAMATE PRODRUGS OF TAPENTADOL AND USES THEREOF SHIRE LLC (US) 2010-09-09 US disclosed
EP-1985292-A1 Titration of tapentadol Grünenthal GmbH (DE) 2008-10-29 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-20150148735-A1 Electric-Field Assisted Administration of Tapentadol SLC1A1, SLC6A2, SLC9A3 KIF11 2892/4885ENPP2 1721/4885TAAR1 177/4885
US-10632195-B2 Pharmaceutical device for electric-field assisted administration of Tapentadol and method of administering Tapentadol with same SLC6A2, SLC9A2, ATP1A2 KIF11 2875/4885ENPP2 2118/4885TAAR1 190/4885
US-20100227921-A1 AMINO ACID AND PEPTIDE CARBAMATE PRODRUGS OF TAPENTADOL AND USES THEREOF VIP, DNPEP, PEPD KIF11 3965/4885ENPP2 2573/4885TAAR1 973/4885

“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.