SCHEMBL5134062

SCHEMBL5134062

NC(=O)c1cnc(CNCc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
OPRD1 P41143 4/20 0.52
OPRK1 P41145 4/20 0.52
KDM4A O75164 1/20 0.47
KDM4B O94953 1/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ASPH Q12797 1/20 0.46
RIOX2 Q8IUF8 1/20 0.46
KDM8 Q8N371 1/20 0.46
VNN1 O95497 2/20 0.44
RPS6KB1 P23443 2/20 0.43
AKT1 P31749 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.42
NCOR1 O75376 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 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
SCHEMBL2217065 0.81 PLA2G10 (0.49) OPRM1OPRD1OPRK1KDM4EASPH
SCHEMBL6469219 0.79 HDAC3 (0.64) OPRM1OPRD1OPRK1KDM4EASPH
SCHEMBL5134065 0.78 MEN1 (0.53) KDM4AKDM4BKDM5CKDM5BROCK1
Carbamic Acid SCHEMBL15635796 0.76 HDAC8 (0.60) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL6469048 0.74 KDM4E (0.46) KDM4EASPHRIOX2KDM8RPS6KB1
SCHEMBL6468945 0.74 SIRT6 (0.42) OPRM1OPRK1HDAC1SIRT6
SCHEMBL30874231 0.74 SIRT6 (0.49) OPRM1OPRD1OPRK1VNN1SIRT6
SCHEMBL5041224 0.73 HCAR3 (0.48) OPRM1OPRD1OPRK1KDM4EASPH
SCHEMBL3695195 0.73 OPRM1 (0.76) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL1345429 0.72 FLT1 (0.49) OPRM1OPRD1OPRK1KDM4AKDM4B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA OPRM1 1245/4885OPRD1 1219/4885OPRK1 1334/4885

“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.