SCHEMBL3608185

SCHEMBL3608185

CN(CCNC(=O)Cn1c(-c2ccccc2)nc2ccccc21)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TSHR P16473 5/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HRH3 Q9Y5N1 5/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
GAA P10253 1/20 0.46
PTAFR P25105 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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) HSD17B10KDM4ETSHRALDH1A1HPGD
SCHEMBL3610555 0.87 KDM4E (0.69) HSD17B10KDM4ETSHRALDH1A1HPGD
SCHEMBL3589935 0.86 LMNA (0.50) HSD17B10KDM4ETSHRALDH1A1HPGD
SCHEMBL3587770 0.85 ALDH1A1 (0.48) HSD17B10KDM4ETSHRALDH1A1HPGD
SCHEMBL3595687 0.85 ALDH1A1 (0.49) HSD17B10KDM4ETSHRALDH1A1HPGD
SCHEMBL3596888 0.85 HTT (0.63) HSD17B10KDM4ETSHRALDH1A1HPGD
SCHEMBL3608186 0.81 KDM4E (0.54) HSD17B10KDM4ETSHRALDH1A1LMNA
SCHEMBL3599800 0.80 HPGD (0.47) TSHRALDH1A1HPGDHTTBCHE
SCHEMBL28819670 0.78 HSD17B10 (0.61) HSD17B10KDM4ETSHRALDH1A1HRH3
SCHEMBL3600246 0.78 GAA (0.55) HSD17B10KDM4EALDH1A1HPGDHTT

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 HSD17B10 3413/4885KDM4E 4801/4885TSHR 1277/4885

“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.