SCHEMBL3598193

SCHEMBL3598193

Cc1nc2ccccc2n1CC(=O)NCCNCC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
HTT P42858 3/20 0.57
TSHR P16473 1/20 0.57
GSK3B P49841 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PTAFR P25105 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3587773 0.88 ALDH1A1 (0.50) HTTSMN1; SMN2GAAALDH1A1HDAC6
SCHEMBL3608186 0.88 KDM4E (0.54) LMNAHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL3589932 0.87 LMNA (0.47) LMNAHTTTSHRSMN1; SMN2GAA
SCHEMBL3595689 0.87 ALDH1A1 (0.51) LMNAHTTTSHRSMN1; SMN2GAA
SCHEMBL3596889 0.85 HTT (0.66) LMNAHTTSMN1; SMN2GAAALDH1A1
SCHEMBL3610556 0.84 KDM4E (0.62) HTTTSHRALDH1A1L3MBTL1
SCHEMBL3591235 0.84 LMNA (0.39) LMNAHTTTSHRSMN1; SMN2GAA
SCHEMBL3598189 0.81 TSHR (0.55) LMNAHTTTSHRGSK3BSMN1; SMN2
SCHEMBL3599795 0.81 HDAC6 (0.47) TSHRSMN1; SMN2ALDH1A1HDAC6L3MBTL1
SCHEMBL3600244 0.78 GAA (0.58) HTTSMN1; SMN2GAAALDH1A1MEN1

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 3 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-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 4638/4885HTT 1553/4885TSHR 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.