SCHEMBL4066382

SCHEMBL4066382

COc1cnc2c(c1)CCCC2N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GID4 Q8IVV7 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 1/20 0.34
HTR6 P50406 1/20 0.34
CYP11B2 P19099 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL20851239 0.85 HRH3 (0.41) DRD2DRD3MEN1KMT2AGID4
SCHEMBL20851569 0.85 HRH3 (0.41) DRD2DRD3MEN1KMT2AGID4
SCHEMBL4066157 0.83 ACVRL1 (0.38) MEN1KMT2AGID4
SCHEMBL6669137 0.80 CXCR4 (0.39) ACHE
SCHEMBL20482614 0.80 CXCR4 (0.39) ACHE
SCHEMBL2136836 0.80 KDM4C (0.38) DRD2DRD3MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11854967 0.79 CXCR4 (0.38) ACHE
Hydrochloric Acid SCHEMBL11853601 0.79 CXCR4 (0.38) ACHE
SCHEMBL4070522 0.78 HPGDS (0.38) MEN1KMT2AHRH3CYP11B2
SCHEMBL16809891 0.77 BACE1 (0.35) KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 DRD2 864/4885DRD3 886/4885KDM1A 4851/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 DRD2 968/4885DRD3 963/4885KDM1A 4836/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 DRD2 864/4885DRD3 886/4885KDM1A 4851/4885

“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.