SCHEMBL3193832

SCHEMBL3193832

CN(CCNC(=O)Cn1ncc2c1-c1ccccc1CC2)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.43
ACHE P22303 4/20 0.42
BCHE P06276 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL3188347 0.87 MAPT (0.58) MAPTTSHRNPSR1GAAMEN1
SCHEMBL3193840 0.82 MAPT (0.44) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL13115698 0.80 GABRP (0.40) MAPTTSHRGAAACHEBCHE
SCHEMBL3195471 0.80 POLB (0.60) MAPTGAAMEN1KMT2ATP53
SCHEMBL3185890 0.80 POLB (0.60) MAPTGAAMEN1KMT2ATP53
SCHEMBL3602593 0.79 TSHR (0.57) MAPTTSHRGAAACHEBCHE
SCHEMBL3185549 0.79 POLB (0.50) MAPTTSHRNPSR1GAAMEN1
SCHEMBL3191364 0.79 POLB (0.50) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL3186501 0.78 MAPT (0.45) MAPTTSHRNPSR1GAAMEN1
SCHEMBL3188790 0.78 POLB (0.49) MAPTTSHRNPSR1GAAMEN1

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 8 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-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
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
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 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
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 MAPT 2809/4885TSHR 1277/4885NPSR1 2297/4885

“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.