SCHEMBL14683136

SCHEMBL14683136

CCC(c1cccc(OC)c1)C(C)C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRND Q07001 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 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
SCHEMBL14683141 0.99 NPC1 (0.48) KCNQ2HTTNPC1RAB9AMEN1
SCHEMBL14683138 0.90 L3MBTL1 (0.53) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL14683135 0.89 POLB (0.55) KCNQ2MEN1KMT2APOLBROCK2
SCHEMBL14683120 0.84 POLB (0.47) KCNQ2NPC1RAB9ASLC6A2SLC6A3
SCHEMBL14683337 0.82 RECQL (0.52) KCNQ2RAB9AMEN1KMT2ASLC6A2
SCHEMBL14683131 0.82 LMNA (0.41) KMT2ASLC6A2SLC6A3GAASLC6A4
SCHEMBL14683336 0.82 HPGD (0.48) KCNQ2NPC1RAB9ASLC6A2SLC6A3
SCHEMBL14683143 0.81 RECQL (0.51) KCNQ2RAB9AMEN1KMT2ASLC6A2
SCHEMBL14683127 0.81 TSHR (0.40) HTTKMT2ASLC6A2SLC6A3CHRNA1
SCHEMBL2176161 0.80 L3MBTL1 (0.50) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617706-B1 NOVEL INTERMEDIATE USED FOR PREPARING TAPENTADOL OR ANALOGUES THEREOF ANHUI NEW STAR PHARMACEUTICAL DEV CO LTD (CN) 2017-09-06 EP claimed
US-9556107-B2 Intermediate used for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2017-01-31 US claimed
US-20160052866-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2016-02-25 US claimed
US-8853393-B2 Intermediate for preparing tapentadol or analogues thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2014-10-07 US claimed
US-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2013-09-05 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
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
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
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-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
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

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-20130231478-A1 Novel Intermediate for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, CYP3A5 KCNQ2 887/4885HTT 2046/4885NPC1 1953/4885
US-20160052866-A1 Novel Intermediate Used for Preparing Tapentadol or Analogues Thereof CYP1A2, CYP7A1, ACHE KCNQ2 919/4885HTT 2006/4885NPC1 2160/4885

“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.