SCHEMBL13875274

SCHEMBL13875274

NCCCCn1c(CN2CC[C@@H]3CCc4cccnc4[C@H]32)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 18/20 0.54
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4168793 1.00 CXCR4 (0.54) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL4170039 0.95 CXCR4 (0.55) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL13875229 0.95 CXCR4 (0.55) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL13875230 0.95 CXCR4 (0.55) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL4178144 0.94 CXCR4 (0.54) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL13875224 0.94 CXCR4 (0.54) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL4174681 0.94 CXCR4 (0.54) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL4174676 0.94 CXCR4 (0.54) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL4174637 0.92 CXCR4 (0.58) CXCR4MEN1USP2KMT2AL3MBTL1
SCHEMBL4168019 0.92 CXCR4 (0.58) CXCR4MEN1USP2KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 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-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 CXCR4 2681/4885MEN1 1097/4885USP2 4637/4885

“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.