SCHEMBL2084355

SCHEMBL2084355

Cc1cnc(CC(NCCCCNC(=O)c2cccc3[nH]cnc23)c2nccc3ccccc23)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.34
ADORA2A P29274 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR3A P46098 1/20 0.33
HTR4 Q13639 1/20 0.33
PTGS1 P23219 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL2084400 0.83 SLC40A1 (0.40) NPC1RAB9AATMKMT2A
SCHEMBL2084357 0.81 RAD52 (0.35) PRMT5NPC1RAB9AATMADORA2A
SCHEMBL2085673 0.76 CXCR4 (0.33) NPC1RAB9AADORA2APOLBKMT2A
SCHEMBL2084498 0.74
SCHEMBL2085959 0.73 GBA1 (0.34) NPC1RAB9AADORA2APOLBKMT2A
SCHEMBL2084038 0.71 SMN1; SMN2 (0.38)
SCHEMBL2085665 0.68 CXCR4 (0.31)
SCHEMBL2084795 0.67 GBA1 (0.33) NPC1RAB9APOLBKMT2A
SCHEMBL2081861 0.66 BRD4 (0.36) KMT2A
SCHEMBL2083521 0.65 SYK (0.35)

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 8 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-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-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 PRMT5 1538/4885NPC1 1612/4885RAB9A 899/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 PRMT5 1358/4885NPC1 1188/4885RAB9A 983/4885

“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.