SCHEMBL4247940

SCHEMBL4247940

C[C@H](CC(N)=O)N1CCC(Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F10 P00742 4/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CCR5 P51681 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
EPHX2 P34913 1/20 0.41
FPR2 P25090 2/20 0.41
PROKR1 Q8TCW9 2/20 0.41

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
SCHEMBL4240584 0.88 CCR5 (0.42) POLBMAPTNPC1ALDH1A1MAPK1
SCHEMBL4243366 0.85 ALDH1A1 (0.53) MAPTALDH1A1UBE2MDCUN1D1EPHX2
SCHEMBL4236025 0.85 ALDH1A1 (0.53) MAPTALDH1A1UBE2MDCUN1D1EPHX2
SCHEMBL4244477 0.84 EPHX2 (0.49) RHOCRHOACCR5UBE2MDCUN1D1
SCHEMBL4238867 0.83 MAPT (0.62) POLBMAPTNPC1ALDH1A1RAB9A
SCHEMBL4242736 0.82 EPHX2 (0.49) MAPTUBE2MDCUN1D1EPHX2
SCHEMBL4240444 0.82 MAPT (0.38) POLBMAPTNPC1ALDH1A1MAPK1
SCHEMBL4247943 0.81 POLB (0.56) POLBRHOCRHOAHDAC1HDAC8
SCHEMBL4240607 0.80 LMNA (0.49) POLBMAPTNPC1ALDH1A1HTT
SCHEMBL4245273 0.80 ATM (0.47) POLBNPC1ALDH1A1HTTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 POLB 3133/4885RHOC 520/4885RHOA 1283/4885

“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.