SCHEMBL3191052

SCHEMBL3191052

CCN1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 1.00
▸ TP53 P04637 7/20 0.74
▸ HSD17B10 Q99714 2/20 0.69
▸ GAA P10253 2/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ MAPT P10636 4/20 0.67
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ THRB P10828 1/20 0.58

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
SCHEMBL3195857 0.90 TSHR (0.82) TSHRTP53HSD17B10GAAKDM4E
SCHEMBL3186204 0.88 TSHR (0.78) TSHRTP53HSD17B10GAAKDM4E
SCHEMBL3178935 0.87 TSHR (0.77) TSHRTP53GAAMAPTMEN1
SCHEMBL3198822 0.85 TP53 (1.00) TSHRTP53HSD17B10GAAKDM4E
SCHEMBL3178830 0.82 TSHR (0.69) TSHRTP53HSD17B10GAAKDM4E
SCHEMBL3190955 0.82 TP53 (0.69) TSHRTP53HSD17B10GAAKDM4E
SCHEMBL3198921 0.82 HSD17B10 (1.00) TSHRTP53HSD17B10GAAKDM4E
SCHEMBL3193574 0.82 TP53 (0.85) TSHRTP53HSD17B10GAAKDM4E
SCHEMBL3196889 0.82 TP53 (0.85) TSHRTP53HSD17B10GAAKDM4E
SCHEMBL3198573 0.82 TP53 (0.76) TSHRTP53HSD17B10GAAKDM4E

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 TSHR 1277/4885TP53 1777/4885HSD17B10 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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