SCHEMBL3178130

SCHEMBL3178130

Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCN(c3ccccn3)CC1)CO2

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.80
▸ KDM4E B2RXH2 2/20 0.80
▸ HSD17B10 Q99714 2/20 0.80
▸ L3MBTL1 Q9Y468 1/20 0.80
▸ POLB P06746 1/20 0.68
▸ TP53 P04637 7/20 0.67
▸ MAPT P10636 3/20 0.67
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ TSHR P16473 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.57

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
SCHEMBL3198921 0.89 HSD17B10 (1.00) GAAKDM4EHSD17B10L3MBTL1POLB
SCHEMBL3185770 0.85 POLB (0.74) GAAPOLBTP53MAPTMEN1
SCHEMBL3197854 0.84 POLB (0.72) GAAKDM4EHSD17B10L3MBTL1POLB
SCHEMBL3178935 0.83 TSHR (0.77) GAAPOLBTP53MAPTMEN1
SCHEMBL3191123 0.82 POLB (0.80) GAAKDM4EHSD17B10L3MBTL1POLB
SCHEMBL3187362 0.80 POLB (0.64) GAAPOLBTP53MAPTMEN1
SCHEMBL3188322 0.80 POLB (0.66) GAAPOLBTP53MAPTMEN1
SCHEMBL3179937 0.80 POLB (0.76) GAAKDM4EHSD17B10L3MBTL1POLB
SCHEMBL3180252 0.79 POLB (0.65) GAAPOLBTP53MAPTMEN1
SCHEMBL3189064 0.79 POLB (0.65) GAAPOLBTP53MAPTMEN1

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 2 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

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 1982/4885KDM4E 4801/4885HSD17B10 3413/4885

“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.

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