SCHEMBL5459339

SCHEMBL5459339

Oc1cccc2c1CN(Cc1c(F)cccc1Cl)CC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.52
CYP2A13 Q16696 1/20 0.51
PNMT P11086 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CACNA1G O43497 3/20 0.42
KCNH2 Q12809 1/20 0.42
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL5449561 0.75 KDM4E (0.43) PNMTALDH1A1KDM4E
SCHEMBL5458111 0.75 PKM (0.45) ALDH1A1TDP1KDM4EPOLBSMN1; SMN2
SCHEMBL5451934 0.73 PNMT (0.56) PNMT
SCHEMBL5446325 0.71 PNMT (0.41) PNMTALDH1A1KDM4E
SCHEMBL5446684 0.70 HSD17B10 (0.53) ALDH1A1ALOX15KDM4ETSHRSMN1; SMN2
SCHEMBL8346559 0.70 PRMT5 (0.49) CYP2A13ALDH1A1KDM4E
SCHEMBL5451645 0.70 KDM4E (0.43) PNMTALDH1A1KDM4E
SCHEMBL18894629 0.69 COMT (0.68) COMTCYP2A13ALDH1A1ALOX15TDP1
SCHEMBL4986751 0.69 CYP2A13 (0.47) COMTCYP2A13ALDH1A1ALOX15TDP1
SCHEMBL5750755 0.69 DRD1 (0.44) ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A COMT 2658/4885CYP2A13 3690/4885PNMT 429/4885

“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.