SCHEMBL2084834

SCHEMBL2084834

Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(F)cc2)C2CCN(C(=O)NO)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.38
CXCR4 P61073 2/20 0.34
CYP3A4 P08684 2/20 0.34
SMO Q99835 1/20 0.33
GAA P10253 1/20 0.33
PRCP P42785 1/20 0.32
CCR3 P51677 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL2081761 0.93 TRPV1 (0.36) TRPV1CXCR4SMOGAAVNN1
SCHEMBL2082908 0.92 TRPV1 (0.36) TRPV1CYP3A4SMOGAA
SCHEMBL5051530 0.91 SMO (0.36) TRPV1CXCR4CYP3A4SMOPRCP
SCHEMBL23428751 0.91 CXCR4 (0.36) TRPV1CXCR4CYP3A4SMOPRCP
SCHEMBL2084734 0.89 TRPV1 (0.38) TRPV1CXCR4CYP3A4USP2TSHR
SCHEMBL2083669 0.89 MEN1 (0.44)
SCHEMBL2082435 0.86 FAAH (0.38) TRPV1CXCR4CYP3A4SMOPRCP
SCHEMBL4035824 0.86 CYP3A4 (0.35) TRPV1CXCR4CYP3A4SMOCCR3
SCHEMBL2086368 0.86 CXCR4 (0.36) TRPV1CXCR4GAA
SCHEMBL2080607 0.85 CXCR4 (0.41) TRPV1CXCR4CYP3A4SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (2 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 TRPV1 1269/4885CXCR4 1/4885CYP3A4 3372/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 TRPV1 625/4885CXCR4 1/4885CYP3A4 3377/4885

“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.