SCHEMBL2179797

SCHEMBL2179797

CCC(c1cccc(OC)c1)C(C)C(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 2/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 1/20 0.43
KCNQ2 O43526 1/20 0.42

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
SCHEMBL2156010 1.00 AOC3 (0.47) AOC3L3MBTL1TDP1MEN1KMT2A
SCHEMBL12027335 1.00 AOC3 (0.47) AOC3L3MBTL1TDP1MEN1KMT2A
SCHEMBL12027339 1.00 AOC3 (0.47) AOC3L3MBTL1TDP1MEN1KMT2A
SCHEMBL12027336 1.00 AOC3 (0.47) AOC3L3MBTL1TDP1MEN1KMT2A
SCHEMBL14683147 0.89 L3MBTL1 (0.47) AOC3L3MBTL1ACHEMTNR1AMTNR1B
SCHEMBL14683149 0.88 L3MBTL1 (0.46) AOC3L3MBTL1TDP1KDM4EALDH1A1
SCHEMBL14683148 0.87 L3MBTL1 (0.45) AOC3L3MBTL1MTNR1AMTNR1B
SCHEMBL14683145 0.85 AOC3 (0.48) AOC3L3MBTL1TDP1MEN1KMT2A
SCHEMBL18427515 0.85 AOC3 (0.48) AOC3L3MBTL1TDP1MEN1KMT2A
SCHEMBL15474063 0.85 CYP2D6 (0.55) KDM4EALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853393-B2 Intermediate for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2014-10-07 US claimed
EP-2617706-A1 NOVEL INTERMEDIATE USED FOR PREPARING TAPENTADOL OR ANALOGUES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2013-07-24 EP claimed
US-9850198-B2 Process for preparing substituted 3-(1-amino-2-methylpentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-12-26 US disclosed
EP-2617706-B1 NOVEL INTERMEDIATE USED FOR PREPARING TAPENTADOL OR ANALOGUES THEREOF ANHUI NEW STAR PHARMACEUTICAL DEV CO LTD (CN) 2017-09-06 EP disclosed
US-9682918-B2 intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVLOPMENT CO., LTD. (CN) 2017-06-20 US disclosed
US-9682918-B2 intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVLOPMENT CO., LTD. (CN) 2017-06-20 US disclosed
US-9682918-B2 intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVLOPMENT CO., LTD. (CN) 2017-06-20 US disclosed
EP-2792668-B1 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-05-31 EP disclosed
US-9556107-B2 Intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2017-01-31 US disclosed
US-9556107-B2 Intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2017-01-31 US disclosed
US-9556107-B2 Intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2017-01-31 US disclosed
US-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2013-09-05 US disclosed
US-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2013-09-05 US disclosed
EP-2617706-A1 NOVEL INTERMEDIATE USED FOR PREPARING TAPENTADOL OR ANALOGUES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2013-07-24 EP disclosed
EP-2617706-A1 NOVEL INTERMEDIATE USED FOR PREPARING TAPENTADOL OR ANALOGUES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2013-07-24 EP disclosed
EP-2582659-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-(1-AMINO-2-METHYLPENTANE-3-YL)PHENYL COMPOUNDS Grünenthal GmbH (DE) 2013-04-24 EP disclosed
WO-2013016840-A1 NOVEL INTERMEDIATE USED FOR PREPARING TAPENTADOL OR ANALOGUES THEREOF 安徽省新星药物开发有限责任公司 (CN) 2013-02-07 WO disclosed
WO-2011157390-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-(1-AMINO-2-METHYLPENTANE-3-YL)PHENYL COMPOUNDS Grünenthal GmbH (DE) 2011-12-22 WO disclosed
US-20110306793-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds GRUENENTHAL GMBH (DE) 2011-12-15 US disclosed
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO 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 (2 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-20110306793-A1 Process for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds NPEPPS, PNMT, CYP3A4 AOC3 934/4885L3MBTL1 3975/4885TDP1 2507/4885
US-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, CYP3A5 AOC3 1287/4885L3MBTL1 4322/4885TDP1 1504/4885

“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.