SCHEMBL3602530

SCHEMBL3602530

CN(CCNC(=O)CCc1c[nH]c2ccccc12)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
GFER P55789 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MTNR1A P48039 4/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL3594182 0.90 SMN1; SMN2 (0.61) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7970577 0.81 MEN1 (0.68) MAPTALDH1A1LMNAHPGDHTT
SCHEMBL3602531 0.80 HPGD (0.61) MAPTALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL7675954 0.79 HPGD (0.69) MAPTALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL7677886 0.78 MEN1 (0.84) MAPTALDH1A1LMNAGFERMEN1
SCHEMBL5326162 0.78 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL27099044 0.78 MTNR1A (0.77) MAPTALDH1A1LMNAHPGDHTT
SCHEMBL7851490 0.77 HTT (0.88) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL5321149 0.77 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5326500 0.76 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAHTT

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-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
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
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 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
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 MAPT 2809/4885ALDH1A1 662/4885SMN1; SMN2 4228/4885

“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.