SCHEMBL3585648

SCHEMBL3585648

Cn1ccc2c(cnn2CC(=O)NCCNCC2CCCCC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
MDM2 Q00987 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.43
KMT2A Q03164 4/20 0.41
THRB P10828 2/20 0.40
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.38
CHRNA7 P36544 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3585647 0.83 ATM (0.43) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3607944 0.80 HTT (0.50) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3198672 0.78 ATM (0.49) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3602594 0.77 TSHR (0.57) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3191114 0.77 TSHR (0.47) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3185759 0.75 MAPT (0.45) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3195522 0.75 MAPT (0.45) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3191696 0.75 MAPT (0.45) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3185790 0.75 MAPT (0.43) ALDH1A1MITFLMNAMAPTHTT
SCHEMBL3603706 0.74 KMO (0.46) ALDH1A1MITFLMNAMAPTHTT

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 ALDH1A1 662/4885MITF 88/4885LMNA 4638/4885

“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.