SCHEMBL4247943

SCHEMBL4247943

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
SIGMAR1 Q99720 4/20 0.45
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
FPR2 P25090 2/20 0.40
PROKR1 Q8TCW9 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
KMT2A Q03164 1/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
CCR2 P41597 1/20 0.38

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
SCHEMBL4238740 0.86 UBE2M (0.41) POLBUBE2MDCUN1D1FPR2ROCK2
SCHEMBL4236028 0.84 ALDH1A1 (0.47) UBE2MDCUN1D1MEN1KMT2A
SCHEMBL4240045 0.84 ALDH1A1 (0.47) UBE2MDCUN1D1MEN1KMT2A
SCHEMBL4239228 0.83 UBE2M (0.45) UBE2MDCUN1D1RHOCRHOA
SCHEMBL4238870 0.82 MAPT (0.56) POLBSIGMAR1
SCHEMBL11457316 0.81 POLB (0.68) POLBFPR2PROKR1RHOCRHOA
SCHEMBL4247940 0.81 POLB (0.52) POLBUBE2MDCUN1D1FPR2PROKR1
SCHEMBL4242742 0.80 UBE2M (0.46) UBE2MDCUN1D1ROCK2
SCHEMBL4245557 0.80 UBE2M (0.48) UBE2MDCUN1D1MEN1KMT2A
SCHEMBL4240447 0.80 POLB (0.35) POLBSIGMAR1UBE2MDCUN1D1ROCK2

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 POLB 3133/4885SIGMAR1 890/4885UBE2M 4562/4885

“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.