SCHEMBL3589935

SCHEMBL3589935

CN(CCNC(=O)Cn1c(Cl)nc2ccccc21)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.47
PTAFR P25105 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
GAA P10253 2/20 0.44
HIF1A Q16665 1/20 0.44
CYP2D6 P10635 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3598189 0.89 TSHR (0.55) LMNAMAPTPTAFRALDH1A1TSHR
SCHEMBL3587770 0.87 ALDH1A1 (0.48) MAPTPTAFRALDH1A1TSHRKDM4E
SCHEMBL3595687 0.86 ALDH1A1 (0.49) MAPTPTAFRALDH1A1TSHRKDM4E
SCHEMBL3596888 0.86 HTT (0.63) LMNAMAPTALDH1A1TSHRKDM4E
SCHEMBL3608185 0.86 HSD17B10 (0.51) LMNAPTAFRALDH1A1TSHRKDM4E
SCHEMBL3610555 0.83 KDM4E (0.69) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL3599800 0.82 HPGD (0.47) MAPTALDH1A1TSHRHPGDHTT
SCHEMBL3589932 0.81 LMNA (0.47) LMNAMAPTALDH1A1TSHRKDM4E
SCHEMBL3591240 0.80 TSHR (0.41) LMNAMAPTPTAFRALDH1A1TSHR
SCHEMBL3600246 0.80 GAA (0.55) ALDH1A1KDM4EHPGDHSD17B10HTT

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
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

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 LMNA 4638/4885MAPT 2809/4885PTAFR 330/4885

“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.