SCHEMBL12345490

SCHEMBL12345490

C1CCCCCC(N2C3CCCC2CC3)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 3/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
OPRD1 P41143 1/20 0.33
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL880757 1.00 KMT2A (0.45) KMT2AMEN1CYP2D6CHRM2CHRM4
SCHEMBL12028780 1.00 KMT2A (0.45) KMT2AMEN1CYP2D6CHRM2CHRM4
SCHEMBL21547917 0.96 KMT2A (0.41) KMT2AMEN1CYP2D6CHRM2CHRM4
SCHEMBL10269953 0.96 KMT2A (0.46) KMT2AMEN1CYP2D6CHRM2CHRM4
SCHEMBL13243088 0.80 MEN1 (0.42) KMT2AMEN1CYP2D6OPRM1OPRK1
SCHEMBL24340644 0.76 ALDH1A1 (0.38) KMT2AMEN1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL1849732 0.76 MAPK1 (0.52) KMT2AMEN1CYP2D6OPRM1OPRK1
SCHEMBL551494 0.76 MAPK1 (0.52) KMT2AMEN1CYP2D6OPRM1OPRK1
SCHEMBL15847688 0.76 MAPK1 (0.58) KMT2AMEN1CYP2D6OPRM1OPRK1
SCHEMBL13177751 0.76 MAPK1 (0.52) KMT2AMEN1CYP2D6OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-07-16 US disclosed
EP-2324013-B3 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2014-10-22 EP disclosed
US-8476271-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2013-07-02 US disclosed
EP-2537844-A1 Substituted-quinoxaline-type bridged-piperidine compounds and the uses thereof Purdue Pharma L.P. (US) 2012-12-26 EP disclosed
EP-2324013-B1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2012-09-19 EP disclosed
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 US disclosed
WO-2010010458-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2010-01-28 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-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, OPRK1, QDPR KMT2A 1597/4885MEN1 4222/4885CYP2D6 658/4885
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 KMT2A 2408/4885MEN1 4473/4885CYP2D6 240/4885

“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.