SCHEMBL1441065

SCHEMBL1441065

O=C(CN1CCNCC1=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
F10 P00742 1/20 0.40
AKT1 P31749 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK14 Q16539 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL1441038 0.84 ALDH1A1 (0.50) HTTF10ALDH1A1SMN1; SMN2MEN1
SCHEMBL1441225 0.84 LMNA (0.46) HTTKDM4EALDH1A1THRBMEN1
SCHEMBL1443675 0.81 POLB (0.40) HTTF10AKT1KDM4EALDH1A1
SCHEMBL1441662 0.79 ALDH1A1 (0.54) KDM4EALDH1A1THRBKMT2AATM
SCHEMBL7913422 0.77 HTT (0.53) HTTAKT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL15244381 0.74 F10 (0.40) HTTF10KMT2ALMNAPOLB
SCHEMBL5231943 0.73 KCNH2 (0.44) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7909444 0.72 HTT (0.45) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15844526 0.72 DDR1 (0.43) F10ALDH1A1LMNAHDAC1POLB
SCHEMBL15845326 0.72 USP30 (0.49) F10ALDH1A1L3MBTL1GSK3BMAPK14

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-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US claimed
EP-2473488-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY Zalicus Pharmaceuticals Ltd. (CA) 2012-07-11 EP claimed
WO-2011026241-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-10 WO claimed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
WO-2011026241-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-10 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 (1 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-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY CACNA1B, SCN1A, CACNA1I HTT 2403/4885F10 2925/4885AKT1 2180/4885

“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.