SCHEMBL5555439

SCHEMBL5555439

CN1CCC(N(CCC2OCCO2)c2nc(N)nc(N(C)c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.33
HTR1A P08908 4/20 0.33
KCNH2 Q12809 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2A P28223 3/20 0.33
HTR7 P34969 3/20 0.33
TNIK Q9UKE5 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 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
SCHEMBL6608474 0.74 IDH2 (0.38) HTR6TNIKEHMT2MAPK1SMN1; SMN2
SCHEMBL5553438 0.71 NMT1 (0.38) HTR6HTR1AKCNH2HTR2AHTR7
SCHEMBL4838592 0.64 MEN1 (0.37) NMT1
SCHEMBL17285893 0.59 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HRH3LSS
SCHEMBL6208888 0.58 NMT1 (0.45) EHMT2EHMT1POLBTSHRMAPK1
SCHEMBL5549684 0.58 PKM (0.54) HTR6HTR1AKCNH2HTR2AHTR7
SCHEMBL5441435 0.57 HTT (0.49) CA1CA2CA7CA9
SCHEMBL18469972 0.57 CHRM1 (0.57) HTR1AKCNH2CHRM2ADRA2ACHRM1
SCHEMBL13580712 0.56 HTR6 (0.42) HTR6HTR2ALSSPOLBSMN1; SMN2
SCHEMBL3047421 0.56 POLB (0.60) HTR6DRD3HRH3POLBSMN1; SMN2

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-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 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-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 HTR6 1544/4885HTR1A 3199/4885KCNH2 4208/4885

“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.