SCHEMBL8300504

SCHEMBL8300504

NC(=O)c1ccc(CN2[C@@H](c3ncccc3Cl)CCC[C@H]2c2ncccc2Cl)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.39
OPRM1 P35372 6/20 0.39
OPRD1 P41143 3/20 0.39
CXCR4 P61073 1/20 0.36
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 2/20 0.35
P2RX7 Q99572 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRL1 P41146 2/20 0.33
KMT2A Q03164 1/20 0.33
ACKR3 P25106 1/20 0.33
GCK P35557 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
SCHEMBL2472003 1.00 OPRK1 (0.39) OPRK1OPRM1OPRD1CXCR4RIPK1
SCHEMBL2473409 0.88 OPRK1 (0.38) OPRK1OPRM1OPRD1CXCR4KCNH2
SCHEMBL2477025 0.81 P2RX7 (0.38) OPRM1RIPK1ALDH1A1P2RX7OPRL1
SCHEMBL2474585 0.79 CXCR4 (0.38) CXCR4
SCHEMBL8305944 0.78 OPRK1 (0.34) OPRK1OPRM1OPRD1KCNH2KMT2A
SCHEMBL2475559 0.77 HDAC6 (0.43) CXCR4
SCHEMBL8301794 0.77 HDAC6 (0.43) CXCR4
SCHEMBL2474699 0.77 ALOX15 (0.38) CXCR4ALDH1A1SMN1; SMN2
SCHEMBL2470444 0.77 ALOX15 (0.38) CXCR4ALDH1A1SMN1; SMN2
SCHEMBL2474177 0.73 CXCR4 (0.35) CXCR4P2RX7

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
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
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 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 OPRK1 106/4885OPRM1 216/4885OPRD1 254/4885

“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.