SCHEMBL3188347

SCHEMBL3188347

CN(CCNC(=O)Cn1ncc2c1-c1ccccc1OC2)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
TSHR P16473 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 4/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 3/20 0.52
MAPK1 P28482 1/20 0.51
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL3185890 0.89 POLB (0.60) MAPTMEN1KMT2ATP53THRB
SCHEMBL3195471 0.89 POLB (0.60) MAPTMEN1KMT2ATP53THRB
SCHEMBL3185549 0.88 POLB (0.50) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL3191364 0.88 POLB (0.50) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL3193832 0.87 MAPT (0.45) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL13417542 0.87 MEN1 (0.63) MAPTTSHRMEN1KMT2ATP53
SCHEMBL3186501 0.87 MAPT (0.45) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL3186788 0.87 POLB (0.49) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL3178748 0.87 POLB (0.49) MAPTTSHRNPSR1MEN1KMT2A
SCHEMBL3188790 0.87 POLB (0.49) MAPTTSHRNPSR1MEN1KMT2A

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 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.