SCHEMBL3775485

SCHEMBL3775485

CCOc1cc(CN2CCC(Nc3nccc(C(F)(F)F)n3)CC2)cc(OCC)c1N

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.57
HRH1 P35367 3/20 0.53
SSTR1 P30872 1/20 0.53
ACHE P22303 3/20 0.47
BACE1 P56817 1/20 0.47
KCNH2 Q12809 1/20 0.45
HTR2B P41595 1/20 0.45
SYK P43405 1/20 0.44

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
SCHEMBL3774530 0.87 SSTR5 (0.54) SSTR5HRH1ACHEBACE1HTR2B
SCHEMBL3781556 0.86 SSTR5 (0.58) SSTR5HRH1SSTR1ACHEBACE1
SCHEMBL3780658 0.85 SSTR5 (0.63) SSTR5HRH1SSTR1ACHEBACE1
SCHEMBL4236956 0.82 SSTR5 (0.43) SSTR5HRH1SSTR1KCNH2SYK
SCHEMBL18657578 0.80 ACHE (0.65) ACHEBACE1SYK
SCHEMBL3782490 0.79 SSTR5 (0.49) SSTR5HRH1SSTR1KCNH2
SCHEMBL4236958 0.79 SSTR5 (0.43) SSTR5HRH1SSTR1KCNH2SYK
SCHEMBL3776264 0.78 SSTR5 (0.61) SSTR5HRH1SSTR1ACHEBACE1
SCHEMBL1878382 0.78 SSTR5 (0.58) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL3787697 0.76 SSTR5 (0.63) SSTR5HRH1KCNH2HTR2B

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-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 SSTR5 1/4885HRH1 140/4885SSTR1 3/4885

“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.