SCHEMBL78975

SCHEMBL78975

[c]1c(C2CCCc3ccccc32)ccc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR1A P08908 1/20 0.43
OPRM1 P35372 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
GID4 Q8IVV7 1/20 0.42
IDO1 P14902 2/20 0.41
HAO1 Q9UJM8 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 1/20 0.37
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2399221 0.79 ADRA2A (0.43) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL5521623 0.77 ADRA2A (0.42) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL8967058 0.73 ADRA2A (0.47) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL3668028 0.71 ADRA2A (0.54) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL9987818 0.70 ADRA1A (0.54) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL29842306 0.70 GID4 (0.62) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL395087 0.70 GID4 (0.62) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL30186198 0.69 GID4 (0.50) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL29209214 0.69 GID4 (0.50) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL5254581 0.69 ADRA2A (0.49) ADRA2AADRA1ACYP2D6ADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-05-31 US claimed
US-20160009717-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-01-14 US claimed
US-9145408-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-09-29 US claimed
EP-2324013-B3 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2014-10-22 EP claimed
US-20130274265-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2013-10-17 US claimed
EP-2537844-A1 Substituted-quinoxaline-type bridged-piperidine compounds and the uses thereof Purdue Pharma L.P. (US) 2012-12-26 EP claimed
EP-2324013-B1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2012-09-19 EP claimed
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 US claimed
EP-2324013-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2011-05-25 EP claimed
WO-2010010458-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2010-01-28 WO claimed
US-11964943-B2 3,5-diarylidenyl-n-substituted-piperid-4-one-derived inhibitors of Stat3 pathway activity and uses thereof KIAKOS KONSTANTINOS (AT) 2024-04-23 US disclosed
US-20220390458-A1 FLUORESCENT PROBE AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-12-08 US disclosed
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds PURDUE PHARMA L.P. (US) 2021-09-07 US disclosed
EP-3795643-A1 FLUORESCENT PROBE AND APPLICATIONS THEREOF Centre National de la Recherche Scientifique (FR) 2021-03-24 EP disclosed
WO-2019097080-A9 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACITIVTY AND USES THEROF KIAKOS KONSTANTINOS (AT) 2020-10-15 WO disclosed
US-20040053914-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-03-18 US disclosed
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 WO disclosed
WO-2004009563-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR INOTEK PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO disclosed
US-20040019208-A1 5-Aryltetrazole Compounds, compositions thereof, and uses therefor INOTEK PHARMACEUTICALS CORPORATION 2004-01-29 US disclosed
WO-2003093236-A1 1-(PYRID-2-YL)-PIPERAZINE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR INHIBITOR EURO-CELTIQUE, S.A. (LU) 2003-11-13 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 (8 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-20040053914-A1 Therapeutic agents useful for treating pain SMN1; SMN2, OPRM1, PSEN1 ADRA2A 464/4885ADRA1A 291/4885CYP2D6 1925/4885
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds QDPR, P2RX4, P2RX5 ADRA2A 1102/4885ADRA1A 1612/4885CYP2D6 224/4885
US-20130274265-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 ADRA2A 300/4885ADRA1A 447/4885CYP2D6 240/4885
US-20160009717-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 ADRA2A 300/4885ADRA1A 447/4885CYP2D6 240/4885
US-11964943-B2 3,5-diarylidenyl-n-substituted-piperid-4-one-derived inhibitors of Stat3 pathway activity and uses thereof STAT3, JAK2, STAT6 ADRA2A 4639/4885ADRA1A 4695/4885CYP2D6 4416/4885
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 ADRA2A 300/4885ADRA1A 447/4885CYP2D6 240/4885
US-20040019208-A1 5-Aryltetrazole Compounds, compositions thereof, and uses therefor CASP5, NLRP3, LITAF ADRA2A 4373/4885ADRA1A 3596/4885CYP2D6 1631/4885
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR ADRA2A 1312/4885ADRA1A 2070/4885CYP2D6 658/4885

“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.