SCHEMBL4244540

SCHEMBL4244540

COc1ccc(N(Cc2cccs2)C2CCN(C(C)CCN)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CCR5 P51681 15/20 0.46
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL4244538 0.86 CHRM2 (0.49) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL4244496 0.84 CCR5 (0.62) CCR5UBE2MDCUN1D1
SCHEMBL4244546 0.83 CCR5 (0.47) KCNH2CCR5
SCHEMBL4240038 0.83 CCR5 (0.47) KCNH2CCR5UBE2MDCUN1D1
SCHEMBL4240067 0.82 CCR5 (0.64) KCNH2CCR5UBE2MDCUN1D1
SCHEMBL4244920 0.82 CCR5 (0.46) KCNH2CCR5ALDH1A1HTTTHRB
SCHEMBL4243511 0.82 CCR5 (0.64) KCNH2CCR5UBE2MDCUN1D1
SCHEMBL4241858 0.80 CCR5 (0.47) KCNH2CCR5UBE2MDCUN1D1
SCHEMBL4238960 0.80 CCR5 (0.50) KCNH2CCR5
SCHEMBL4240329 0.79 CCR5 (0.66) SLC6A2SLC6A4SLC6A3CCR5UBE2M

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 4 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 claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
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 KCNH2 4679/4885CHRM2 1783/4885HTR1A 2939/4885

“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.