SCHEMBL5451645

SCHEMBL5451645

Oc1cccc2c1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PNMT P11086 1/20 0.40
CYP3A4 P08684 2/20 0.40
P2RX1 P51575 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40

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 0.83 KDM4E (0.43) KDM4EALDH1A1PTGER4PTGER2MAPT
SCHEMBL5802907 0.81 MEN1 (0.50) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL5446325 0.78 PNMT (0.41) KDM4EALDH1A1MAPTHTTNPSR1
SCHEMBL5450030 0.77 CA9 (0.59) KDM4EGAAMAPT
SCHEMBL1854687 0.77 KDM4E (0.54) KDM4EALDH1A1GAAPNMTLMNA
SCHEMBL5458111 0.72 PKM (0.45) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL5446684 0.70 HSD17B10 (0.53) KDM4EALDH1A1HTT
SCHEMBL1849900 0.70 PTGER4 (0.49) KDM4EALDH1A1PTGER4PTGER2GAA
SCHEMBL5459339 0.70 COMT (0.52) KDM4EALDH1A1PNMT
SCHEMBL12583719 0.70 CA9 (0.57) KDM4EGAAMAPTHTTNPSR1

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 KDM4E 1446/4885ALDH1A1 489/4885PTGER4 1916/4885

“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.