SCHEMBL5451561

SCHEMBL5451561

COc1cccc2c1CN(C(=O)CN(CC(=O)N1CCc3cccc(OC)c3C1)CC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.46
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
NLRP3 Q96P20 1/20 0.45
HCRTR2 O43614 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
PTGDR2 Q9Y5Y4 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
SCHEMBL5449544 0.86 KDM4E (0.46) KMT2AMEN1KDM4ETSHRCYP1A2
SCHEMBL5453670 0.81 CYP2D6 (0.49) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL5451032 0.80 GRM7 (0.48) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL5458119 0.77 MTNR1A (0.50) KMT2AMEN1NPC1TAAR1DPP8
SCHEMBL30641865 0.77 DRD2 (0.51) KMT2AKDM4EHSD17B10NPC1ALOX15
SCHEMBL20460315 0.76 ALDH1A1 (0.55) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL20460387 0.74 DRD2 (0.47) KMT2AMEN1TSHRALDH1A1HSD17B10
SCHEMBL14067047 0.74 NOTUM (0.58) KDM4EHSD17B10NPC1ALOX15ABHD6
SCHEMBL5452585 0.73 ABHD6 (0.50) KDM4EHSD17B10NPC1ALOX15ABHD6
SCHEMBL5456195 0.73 KDM4E (0.60) KMT2AMEN1KDM4ETSHROXTR

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 1 patent. 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

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 2911/4885MEN1 2444/4885KDM4E 1446/4885

“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.