SCHEMBL4238740

SCHEMBL4238740

C[C@H](CCN)N1CCC(Nc2ccc(Br)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
POLB P06746 1/20 0.39
FPR3 P25089 3/20 0.38
FPR2 P25090 3/20 0.38
CCR5 P51681 2/20 0.37
ROCK2 O75116 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4247943 0.86 POLB (0.56) UBE2MDCUN1D1POLBFPR2ROCK2
SCHEMBL4240045 0.84 ALDH1A1 (0.47) UBE2MDCUN1D1MEN1KMT2AMAPT
SCHEMBL4236028 0.84 ALDH1A1 (0.47) UBE2MDCUN1D1MEN1KMT2AMAPT
SCHEMBL4239228 0.83 UBE2M (0.45) UBE2MDCUN1D1CCR5EPHX2
SCHEMBL4238870 0.82 MAPT (0.56) POLBMAPTALDH1A1NPC1HTT
SCHEMBL24596938 0.81 POLB (0.46) POLBFPR3FPR2CCR5ROCK2
SCHEMBL4240584 0.81 CCR5 (0.42) UBE2MDCUN1D1POLBFPR3FPR2
SCHEMBL4242742 0.80 UBE2M (0.46) UBE2MDCUN1D1ROCK2EPHX2
SCHEMBL4240447 0.80 POLB (0.35) UBE2MDCUN1D1POLBROCK2CARM1
SCHEMBL4245557 0.80 UBE2M (0.48) UBE2MDCUN1D1MEN1KMT2AEPHX2

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 UBE2M 4562/4885DCUN1D1 3581/4885POLB 3133/4885

“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.