SCHEMBL3200546

SCHEMBL3200546

O=C(Cn1ncc2c1-c1ccccc1OC2)NCCCN1CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ POLB P06746 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MAPT P10636 6/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TP53 P04637 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ HTR2A P28223 1/20 0.52

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
SCHEMBL3188506 0.89 MAPT (0.58) GAAPOLBLMNAHSD17B10MAPT
SCHEMBL3179798 0.88 MAPT (0.59) GAAPOLBLMNAHSD17B10MAPT
SCHEMBL3186400 0.88 TSHR (0.60) GAAPOLBLMNAHSD17B10MAPT
SCHEMBL3201387 0.87 TP53 (0.55) GAAPOLBLMNAHSD17B10MAPT
SCHEMBL3191805 0.86 TSHR (0.69) GAAPOLBLMNAHSD17B10MAPT
SCHEMBL3191319 0.85 TSHR (0.54) GAAPOLBLMNAHSD17B10MAPT
SCHEMBL3198887 0.84 MAPT (0.54) GAAHPGDPOLBLMNAHSD17B10
SCHEMBL3191639 0.83 KMT2A (0.54) GAAPOLBLMNAHSD17B10MAPT
SCHEMBL3191775 0.82 MEN1 (0.51) GAAPOLBLMNAHSD17B10MAPT
SCHEMBL3190868 0.82 TP53 (0.69) POLBLMNAHSD17B10MAPTALDH1A1

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 GAA 1982/4885HPGD 3386/4885POLB 4479/4885

“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.

Send feedback