SCHEMBL12935035

SCHEMBL12935035

Cc1cnc(CN(CCCCN)Cc2nc3cccc4c3n2CCC4)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 17/20 0.49
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM2 P08172 4/20 0.41
CHRM4 P08173 4/20 0.41
CHRM5 P08912 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP2D6 P10635 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
SCHEMBL23428526 0.84 NPC1 (0.44) CXCR4NPC1MAPTRAB9ACHRM2
SCHEMBL2083281 0.77 NPC1 (0.39) CXCR4NPC1MAPTRAB9AHTR2A
SCHEMBL12935286 0.76 CXCR4 (0.56) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12935030 0.73 CXCR4 (0.54) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12935001 0.71 CXCR4 (0.45) CXCR4MAPTRAB9ACHRM2CHRM4
SCHEMBL12935059 0.71 CXCR4 (0.53) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2085290 0.71 CXCR4 (0.59) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12935309 0.71 CXCR4 (0.52) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5112561 0.70 CXCR4 (0.62) CXCR4CHRM2CYP2D6
SCHEMBL23428754 0.69 CXCR4 (0.44) CXCR4MAPTCHRM2CHRM4CHRM5

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
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-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 CXCR4 1/4885NPC1 1188/4885MAPT 4426/4885

“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.