SCHEMBL3591258

SCHEMBL3591258

Cc1nn(CC(=O)NCCN(C)C2CCCCC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
CHRNA7 P36544 1/20 0.43
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL3591608 0.89 BCHE (0.43) BCHEACHEGAATSHRMEN1
SCHEMBL3599800 0.83 HPGD (0.47) BCHEACHEGAATSHRMEN1
SCHEMBL3591259 0.81 MAPK1 (0.47) MAPK1TSHRCHRNA7POLBHPGD
SCHEMBL3602593 0.80 TSHR (0.57) BCHEACHEGAATSHRMEN1
SCHEMBL3600246 0.80 GAA (0.55) BCHEACHEGAAMEN1KMT2A
SCHEMBL18967138 0.78 RAB9A (0.54) TSHRKMT2ATP53POLBHPGD
SCHEMBL3598189 0.78 TSHR (0.55) BCHEACHEGAATSHRMAPT
SCHEMBL3605304 0.78 THRB (0.47) MAPK1GAATSHRMEN1KMT2A
SCHEMBL3591241 0.77 CHEK1 (0.41) BCHEACHEGAATSHRMEN1
SCHEMBL3198668 0.76 ATM (0.49) BCHEACHEMEN1KMT2ATP53

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-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
WO-2007115231-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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 MAPK1 1264/4885BCHE 2360/4885ACHE 4160/4885

“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.