SCHEMBL2177637

SCHEMBL2177637

CCC(c1cccc(OC)c1)C(C)C#N

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.44
AOC3 Q16853 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40

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
SCHEMBL2178067 0.88 AOC3 (0.43) CASRAOC3L3MBTL1TAAR1KMT2A
SCHEMBL11618270 0.85 AOC3 (0.51) CASRAOC3L3MBTL1TAAR1MTNR1A
SCHEMBL18403140 0.83 AOC3 (0.50) CASRAOC3L3MBTL1TAAR1MTNR1A
SCHEMBL18320847 0.83 AOC3 (0.50) CASRAOC3L3MBTL1TAAR1MTNR1A
SCHEMBL16871396 0.82 CASR (0.48) CASRAOC3L3MBTL1TAAR1
SCHEMBL16871059 0.82 CASR (0.48) CASRAOC3L3MBTL1TAAR1
SCHEMBL2176341 0.81 AOC3 (0.47) CASRAOC3L3MBTL1TAAR1
SCHEMBL16871235 0.81 AOC3 (0.47) CASRAOC3L3MBTL1TAAR1
SCHEMBL16244752 0.81 CA12 (0.33) CASRMTNR1AMTNR1B
SCHEMBL15121380 0.81 AOC3 (0.53) CASRAOC3L3MBTL1TAAR1MTNR1A

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
US-20160052873-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2016-02-25 US claimed
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-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-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-8853393-B2 Intermediate for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2014-10-07 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
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
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-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 CASR 4858/4885AOC3 1274/4885L3MBTL1 4401/4885
US-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, CYP3A5 CASR 4860/4885AOC3 1287/4885L3MBTL1 4322/4885
US-20160052866-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, ACHE CASR 4858/4885AOC3 1274/4885L3MBTL1 4401/4885

“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.