SCHEMBL3203584

SCHEMBL3203584

O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCNCC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.64
TSHR P16473 2/20 0.64
ALOX15 P16050 1/20 0.64
TP53 P04637 1/20 0.62
GAA P10253 3/20 0.61
MAPT P10636 3/20 0.60
HTT P42858 1/20 0.58
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL3190553 0.87 TSHR (0.67) NPSR1TSHRTP53GAAMAPT
SCHEMBL3179815 0.87 TSHR (0.53) NPSR1TSHRALOX15TP53MAPT
SCHEMBL3178406 0.85 MAPT (0.59) NPSR1TSHRTP53GAAMAPT
SCHEMBL3203581 0.84 NPSR1 (0.63) NPSR1TSHRALOX15TP53GAA
SCHEMBL13417536 0.82 NPSR1 (0.76) NPSR1TSHRALOX15TP53GAA
SCHEMBL3193555 0.81 NPSR1 (0.62) NPSR1TSHRALOX15TP53GAA
SCHEMBL3188569 0.81 HTT (0.67) NPSR1TSHRALOX15TP53GAA
SCHEMBL3177866 0.79 TP53 (0.71) NPSR1TSHRALOX15TP53GAA
SCHEMBL3200380 0.79 LMNA (0.45) NPSR1TSHRALOX15TP53GAA
SCHEMBL3198672 0.79 ATM (0.49) NPSR1TP53MAPTHTTALDH1A1

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 NPSR1 2297/4885TSHR 1277/4885ALOX15 2997/4885

“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.