SCHEMBL5564397

SCHEMBL5564397

CCOc1cc(CN(c2ncc(-c3cccnc3)cn2)C2CCNCC2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A3 Q01959 4/20 0.47
HTR1A P08908 2/20 0.38
GRM5 P41594 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
HTR6 P50406 1/20 0.36
MCHR1 Q99705 1/20 0.35
POLB P06746 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.35
PSMB5 P28074 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5558707 0.85 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL4234809 0.83 SSTR5 (0.44) SLC6A2SLC6A4CYP3A4
SCHEMBL4704666 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL4701211 0.81 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL4702470 0.79 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL4233681 0.76 SSTR5 (0.41) SLC6A2SLC6A4CYP3A4
SCHEMBL4701500 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL4703290 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4706328 0.74 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3GRM5ALDH1A1
SCHEMBL4445100 0.74 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3HTR6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 US claimed

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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 SLC6A2 463/4885SLC6A4 271/4885SLC6A3 549/4885

“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.