SCHEMBL2176161

SCHEMBL2176161

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 4/20 0.47
PTGS1 P23219 2/20 0.47
AKR1C1 Q04828 1/20 0.47
FFAR1 O14842 5/20 0.46

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
SCHEMBL2176160 1.00 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL2322439 1.00 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL2178238 1.00 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL30786879 1.00 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL13730285 0.92 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BPTGS1FFAR1
SCHEMBL2180325 0.87 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1B
SCHEMBL2154692 0.87 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1B
SCHEMBL2180203 0.87 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1B
SCHEMBL2154689 0.87 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1B
SCHEMBL13731760 0.87 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117230124-A Preparation method of tapentadol chiral intermediate 天津法莫西生物医药科技有限公司 2023-12-15 CN claimed
CN-117230124-A Preparation method of tapentadol chiral intermediate 天津法莫西生物医药科技有限公司 2023-12-15 CN 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-9556107-B2 Intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2017-01-31 US disclosed
US-20160052873-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2016-02-25 US disclosed
US-20160052866-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2016-02-25 US disclosed
US-8853393-B2 Intermediate for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2014-10-07 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
WO-2012146978-A2 A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2012-11-01 WO disclosed
WO-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO 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 (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-20160052873-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, ACHE L3MBTL1 4401/4885MTNR1A 108/4885MTNR1B 81/4885
US-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, CYP3A5 L3MBTL1 4322/4885MTNR1A 112/4885MTNR1B 91/4885
US-20160052866-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, ACHE L3MBTL1 4401/4885MTNR1A 108/4885MTNR1B 81/4885

“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.