SCHEMBL16852145

SCHEMBL16852145

Ic1ccc2c(c1)CCc1ccccc1N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
SIRT2 Q8IXJ6 2/20 0.47
ALDH1A1 P00352 2/20 0.42
ADRA2A P08913 1/20 0.39
PNMT P11086 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
RAB9A P51151 2/20 0.38
AHR P35869 1/20 0.38
PDK2 Q15119 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL407439 0.81 NPC1 (0.70) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL4539822 0.77 NPC1 (0.55) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL17079539 0.77 MAPT (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL8162013 0.77 MAPT (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL14698807 0.77 MAPT (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL8133079 0.77 MEN1 (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL25797553 0.77 MAPT (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL13706665 0.74 GNG2 (0.42) MAPTMEN1KMT2AGAAGNG2
SCHEMBL22808610 0.73 MAPT (0.58) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL6046496 0.73 NPC1 (0.50) MAPTMEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283392-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2017-10-05 US disclosed
US-20170283392-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2017-10-05 US disclosed
US-9695144-B2 Dibenzazepine derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-07-04 US disclosed
US-9695144-B2 Dibenzazepine derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-07-04 US disclosed
US-20150175569-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-06-25 US disclosed
US-20150175569-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-06-25 US 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-20170283392-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF CACNA1A, CACNA1D, CACNA1S MAPT 3286/4885MEN1 1265/4885KMT2A 584/4885
US-20150175569-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF CACNA1A, CACNA1D, CACNA1S MAPT 3286/4885MEN1 1265/4885KMT2A 584/4885

“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.