SCHEMBL5451785

SCHEMBL5451785

COc1cccc2c1CN(CCNC(=O)NC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DRD2 P14416 2/20 0.49
SIGMAR1 Q99720 3/20 0.47
DRD4 P21917 1/20 0.46
ACACB O00763 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
PRMT5 O14744 1/20 0.42

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
SCHEMBL5458468 0.88 DRD2 (0.44) POLBHSD17B10DRD2SIGMAR1DRD4
SCHEMBL5454626 0.86 SIGMAR1 (0.58) POLBHSD17B10DRD2SIGMAR1DRD4
SCHEMBL5447851 0.85 ALDH1A1 (0.54) POLBDRD2ACACBMEN1KMT2A
SCHEMBL5458473 0.82 DRD2 (0.53) POLBHSD17B10DRD2SIGMAR1DRD4
SCHEMBL5456116 0.81 DRD2 (0.50) POLBHSD17B10DRD2SIGMAR1DRD4
SCHEMBL5451280 0.81 POLB (0.69) POLBHSD17B10DRD2DRD4MEN1
SCHEMBL5456113 0.80 DRD2 (0.44) POLBHSD17B10DRD2SIGMAR1DRD4
SCHEMBL5466197 0.80 MTNR1A (0.50) DRD2DRD4ALOX15HDAC1HDAC6
SCHEMBL5445261 0.78 NPC1 (0.57) POLBDRD2ACACBMEN1KMT2A
SCHEMBL5451891 0.77 MTNR1A (0.48) POLBDRD2MEN1KMT2AHDAC1

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 3457/4885DRD2 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.