SCHEMBL4895659

SCHEMBL4895659

Cn1c(CNC2CCOc3cccnc32)nc2cccc(N3CCNCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRM2 P08172 6/20 0.35
CHRM4 P08173 6/20 0.35
CHRM5 P08912 6/20 0.35
CHRM1 P11229 6/20 0.35
CHRM3 P20309 6/20 0.35
CXCR4 P61073 6/20 0.35
KCNH2 Q12809 1/20 0.34
HTR1A P08908 2/20 0.33
SLC6A2 P23975 2/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HTR7 P34969 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4903648 0.74 CXCR4 (0.44) CXCR4KCNH2
SCHEMBL4885774 0.69 CXCR4 (0.47) CXCR4PDE10A
SCHEMBL4887173 0.69 CXCR4 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14067054 0.68 CXCR4 (0.41) ADRB1HTR2AHTR2CSLC6A4CHRM2
SCHEMBL4181823 0.68 CXCR4 (0.53) HTR2AHTR2CSLC6A4CHRM2CHRM4
SCHEMBL14270226 0.67 CXCR4 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4882093 0.67 CXCR4 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14270227 0.66 CXCR4 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4884757 0.66 CXCR4 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4894677 0.65 HTR6 (0.46) ADRB1HTR2AHTR2CSLC6A4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214562-A1 Chemical Compounds CCR5, CXCR4, CXCR3 ADRB1 952/4885HTR2A 3458/4885HTR2C 3139/4885

“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.