SCHEMBL5451280

SCHEMBL5451280

COc1cccc2c1CN(CCNC(=O)Nc1ccc(Oc3ccccc3)cc1)CC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
HSD17B10 Q99714 1/20 0.69
TP53 P04637 2/20 0.56
MEN1 O00255 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
DRD2 P14416 2/20 0.51
MCHR1 Q99705 5/20 0.49
MCHR2 Q969V1 2/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL5451485 0.84 LMNA (0.61) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL5451785 0.81 POLB (0.52) POLBHSD17B10TP53MEN1ALOX15
SCHEMBL5458473 0.77 DRD2 (0.53) POLBHSD17B10DRD2DRD4DRD3
SCHEMBL5456116 0.76 DRD2 (0.50) POLBHSD17B10DRD2DRD4DRD3
SCHEMBL5449497 0.75 RECQL (0.65) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL1132519 0.74 DRD2 (0.53) POLBHSD17B10DRD2DRD3
SCHEMBL5458468 0.73 DRD2 (0.44) POLBHSD17B10DRD2LMNADRD4
SCHEMBL5456113 0.73 DRD2 (0.44) POLBHSD17B10DRD2LMNADRD4
SCHEMBL12608047 0.73 DRD2 (0.51) POLBHSD17B10DRD2DRD3
SCHEMBL5466197 0.72 MTNR1A (0.50) ALOX15KDM4EDRD2DRD4DRD3

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 POLB 4466/4885HSD17B10 3457/4885TP53 4865/4885

“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.