SCHEMBL5453473

SCHEMBL5453473

COc1cccc2c1CN(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.53
ACACB O00763 2/20 0.48
DRD2 P14416 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SLC6A9 P48067 2/20 0.44
SLC6A5 Q9Y345 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5447851 0.92 ALDH1A1 (0.54) KMT2AACACBDRD2HDAC1HDAC6
SCHEMBL5446354 0.86 KMT2A (0.72) KMT2AATMMEN1RAB9AKDM4E
SCHEMBL5458059 0.83 ALDH1A1 (0.61) KMT2ADRD2MEN1KDM4EMAPK1
SCHEMBL5445261 0.82 NPC1 (0.57) KMT2AACACBDRD2MEN1ALDH1A1
SCHEMBL5460738 0.82 CNR1 (0.51) KMT2AACACBDRD2MEN1RAB9A
SCHEMBL5450017 0.81 KMT2A (0.52) KMT2AACACBMEN1KDM4ETSHR
SCHEMBL5445317 0.80 DPP8 (0.49) KMT2AATMACACBDRD2NPSR1
SCHEMBL5449773 0.79 PRMT5 (0.49) KMT2ADRD2HDAC1HDAC6MEN1
SCHEMBL5243395 0.78 KMT2A (0.55) KMT2AATMDRD2MEN1RAB9A
SCHEMBL5753631 0.78 DRD2 (0.53) KMT2AACACBDRD2HDAC1HDAC6

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 KMT2A 2911/4885ATM 4330/4885ACACB 3033/4885

“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.