SCHEMBL3589634

SCHEMBL3589634

CN(CCNC(=O)Cn1ccc2cccc(-c3ccc(Cl)c(Cl)c3)c21)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPY5R Q15761 1/20 0.36
HPGD P15428 1/20 0.36
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3608184 0.91 KMT2A (0.43) GAATSHRMAPTTP53KMT2A
SCHEMBL3594706 0.88 GAA (0.42) GAATSHRMAPTTP53KMT2A
SCHEMBL3597285 0.88 MAPT (0.46) GAATSHRMAPTTP53KMT2A
SCHEMBL3605991 0.87 GAA (0.44) GAATSHRMAPTTP53KMT2A
SCHEMBL3608258 0.87 GAA (0.43) GAATSHRMAPTTP53KMT2A
SCHEMBL3597443 0.86 KDM4E (0.42) GAATSHRMAPTTP53KMT2A
SCHEMBL3605624 0.85 GAA (0.41) GAATSHRMAPTTP53KMT2A
SCHEMBL3605919 0.85 MAPT (0.40) GAATSHRMAPTTP53KMT2A
SCHEMBL3589650 0.85 TSHR (0.41) GAATSHRMAPTTP53KMT2A
SCHEMBL3595324 0.85 TSHR (0.42) GAATSHRMAPTTP53KMT2A

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-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 GAA 1982/4885TSHR 1277/4885MAPT 2809/4885

“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.