SCHEMBL5458111

SCHEMBL5458111

Oc1cccc2c1CN(Cc1cc(F)ccc1F)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
DRD3 P35462 3/20 0.40
DRD2 P14416 2/20 0.40
ALDH1A1 P00352 2/20 0.39
ABCB1 P08183 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DRD1 P21728 2/20 0.38
KMT2A Q03164 1/20 0.38
DRD5 P21918 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5449561 0.81 KDM4E (0.43) PKMDRD3DRD2ALDH1A1KDM4E
SCHEMBL5459339 0.75 COMT (0.52) ALDH1A1POLBKDM4ESMN1; SMN2TDP1
SCHEMBL5451934 0.73 PNMT (0.56) DRD3DRD2DRD1DRD5
SCHEMBL5451645 0.72 KDM4E (0.43) ALDH1A1KDM4EMAPTHTTNPSR1
SCHEMBL5446684 0.70 HSD17B10 (0.53) DRD3DRD2ALDH1A1KDM4EHTT
SCHEMBL5456384 0.70 CACNA1B (0.55) DRD3DRD2DRD1KMT2ADRD5
SCHEMBL5750755 0.69 DRD1 (0.44) PKMDRD3DRD2ALDH1A1POLB
SCHEMBL5446325 0.68 PNMT (0.41) ALDH1A1KDM4EMAPTHTTNPSR1
SCHEMBL6796135 0.68 KDM4E (0.71) PKMALDH1A1POLBKDM4EHTT
SCHEMBL5451932 0.68 DRD1 (0.43) DRD3DRD2DRD1KMT2ADRD5

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 5 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-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO 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 PKM 4355/4885DRD3 1782/4885DRD2 1065/4885

“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.