SCHEMBL3186151

SCHEMBL3186151

CN1CCN(CCCNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.69
NPSR1 Q6W5P4 3/20 0.68
GAA P10253 2/20 0.67
TP53 P04637 3/20 0.65
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 3/20 0.65
MAPT P10636 4/20 0.61
TSHR P16473 2/20 0.60
ALOX15 P16050 1/20 0.60
KMT2A Q03164 2/20 0.57
RAD52 P43351 1/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL3196915 0.94 NPSR1 (0.70) HTTNPSR1GAATP53KDM4E
SCHEMBL3188569 0.92 HTT (0.67) HTTNPSR1GAATP53KDM4E
SCHEMBL3191651 0.91 HTT (0.66) HTTNPSR1GAATP53KDM4E
SCHEMBL3190854 0.90 NPSR1 (0.68) HTTNPSR1GAATP53KDM4E
SCHEMBL3189828 0.88 USP2 (0.69) HTTNPSR1TP53KDM4EHSD17B10
SCHEMBL3186575 0.87 HTT (0.91) HTTNPSR1GAATP53KDM4E
SCHEMBL3195590 0.87 HTT (0.71) HTTNPSR1GAATP53KDM4E
SCHEMBL3187332 0.86 NPSR1 (0.65) HTTNPSR1GAATP53KDM4E
SCHEMBL3189513 0.85 HTT (0.73) HTTNPSR1GAATP53MAPT
SCHEMBL3189035 0.84 NPSR1 (0.64) HTTNPSR1GAATP53KDM4E

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-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 US disclosed
WO-2007115232-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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 HTT 1553/4885NPSR1 2297/4885GAA 1982/4885

“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.