SCHEMBL4240584

SCHEMBL4240584

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.41
ROCK2 O75116 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
FPR3 P25089 2/20 0.40
FPR2 P25090 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4247940 0.88 POLB (0.52) CCR5UBE2MDCUN1D1EPHX2MAPT
SCHEMBL4236025 0.85 ALDH1A1 (0.53) UBE2MDCUN1D1KMT2AEPHX2MAPT
SCHEMBL4243366 0.85 ALDH1A1 (0.53) UBE2MDCUN1D1KMT2AEPHX2MAPT
SCHEMBL4244477 0.84 EPHX2 (0.49) CCR5UBE2MDCUN1D1EPHX2
SCHEMBL4238867 0.83 MAPT (0.62) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL4242736 0.82 EPHX2 (0.49) UBE2MDCUN1D1MEN1KMT2AEPHX2
SCHEMBL4240444 0.82 MAPT (0.38) CCR5ROCK2CYP3A4MAPTALDH1A1
SCHEMBL4244419 0.81 ALDH1A1 (0.42) ROCK2CYP3A4MAPTALDH1A1MAPK1
SCHEMBL4238740 0.81 UBE2M (0.41) CCR5UBE2MDCUN1D1MEN1KMT2A
SCHEMBL4240607 0.80 LMNA (0.49) 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 2 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
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US 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 CCR5 1/4885UBE2M 4562/4885DCUN1D1 3581/4885

“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.