SCHEMBL8305812

SCHEMBL8305812

Cc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1CCNC(=O)NO

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.38
CXCR4 P61073 5/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
ATM Q13315 1/20 0.36
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2475712 0.93 ATM (0.42) OPRL1CXCR4KMT2AATM
SCHEMBL8304298 0.92 ATM (0.40) OPRL1CXCR4ATMHTT
SCHEMBL30586966 0.84 CXCR4 (0.42) OPRL1CXCR4KMT2A
SCHEMBL26105391 0.84 CXCR4 (0.42) OPRL1CXCR4KMT2A
SCHEMBL2476514 0.83 DRD2 (0.37) OPRL1CXCR4TRPV1ATMCDK5
SCHEMBL11904758 0.82 ATM (0.36) OPRL1CXCR4ATM
SCHEMBL2476650 0.82 HDAC6 (0.41) CXCR4ATM
SCHEMBL2472086 0.82 ATM (0.43) OPRL1CXCR4ATM
SCHEMBL2470568 0.81 HDAC3 (0.44)
SCHEMBL8300352 0.81 ATM (0.43) OPRL1CXCR4ATMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 EP disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 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-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 OPRL1 101/4885CXCR4 1/4885HPGD 598/4885

“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.