SCHEMBL2084922

SCHEMBL2084922

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Nc2ccccc2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
GAA P10253 4/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR5 P51681 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.39
WNT3 P56703 1/20 0.38
FAAH O00519 1/20 0.38
CCR3 P51677 1/20 0.38
CALCRL Q16602 1/20 0.38

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
SCHEMBL2085392 0.87 TRPV1 (0.52) GAATRPV1MAPTTSHRFAAH
SCHEMBL2085017 0.86 TRPV1 (0.45) KMT2AGAATRPV1MAPTMEN1
SCHEMBL2085739 0.84 TRPV1 (0.43) KMT2AGAATRPV1MAPTCCR5
SCHEMBL2084919 0.83 TDP1 (0.42) KMT2ATRPV1CCR5
SCHEMBL2086100 0.83 TRPV1 (0.42) KMT2ATRPV1MAPTCCR5
SCHEMBL2084025 0.82 TDP1 (0.42) KMT2ATRPV1CCR5
SCHEMBL2085220 0.81 GAA (0.50) KMT2AGAATRPV1MAPTFAAH
SCHEMBL2084358 0.81 TRPV1 (0.42) KMT2AGAATRPV1MAPTCCR5
SCHEMBL2086498 0.81 GRIN2B (0.54) KMT2AMAPTMEN1CCR5TSHR
SCHEMBL2083302 0.81 HSD11B1 (0.44) KMT2AGAACCR5TSHR

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
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 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-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

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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 KMT2A 2950/4885GAA 4741/4885TRPV1 625/4885

“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.