SCHEMBL5446325

SCHEMBL5446325

Oc1cccc2c1CN(Cc1ccc(SC(F)(F)F)cc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ACACB O00763 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM4 P08173 1/20 0.39
NOS1 P29475 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
SCHEMBL5451645 0.78 KDM4E (0.43) PNMTKDM4EALDH1A1MAPTHTT
SCHEMBL5449561 0.76 KDM4E (0.43) PNMTKMT2AKDM4EALDH1A1MAPT
SCHEMBL5459339 0.71 COMT (0.52) PNMTKDM4EALDH1A1
SCHEMBL24093254 0.69 HRH3 (0.62) KDM4EALDH1A1HTTCYP3A4CYP2D6
SCHEMBL5446684 0.69 HSD17B10 (0.53) KDM4EALDH1A1HTT
SCHEMBL5458111 0.68 PKM (0.45) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL5451934 0.68 PNMT (0.56) PNMT
SCHEMBL8506825 0.68 SIGMAR1 (0.50) PNMT
SCHEMBL5690417 0.67 PNMT (0.61) PNMTMEN1KMT2AACACB
SCHEMBL5750755 0.67 DRD1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT

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 PNMT 429/4885MEN1 2444/4885KMT2A 2911/4885

“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.