SCHEMBL3778586

SCHEMBL3778586

CCOc1cc(CN2CCC(Nc3nccc(C(=O)OC)n3)CC2)cc(OCC)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.55
SSTR1 P30872 2/20 0.55
ACHE P22303 5/20 0.49
BACE1 P56817 3/20 0.49
HRH1 P35367 2/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3780184 0.92 SSTR5 (0.57) SSTR5SSTR1ACHEBACE1HRH1
SCHEMBL3769684 0.91 SSTR5 (0.55) SSTR5SSTR1ACHEBACE1HRH1
SCHEMBL3776260 0.88 SSTR5 (0.55) SSTR5SSTR1ACHEBACE1HRH1
SCHEMBL3784095 0.88 MCHR1 (0.48) SSTR5SSTR1ACHEBACE1HRH1
SCHEMBL3782822 0.88 SSTR5 (0.52) SSTR5SSTR1ACHEBACE1HRH1
SCHEMBL3778187 0.82 SSTR5 (0.55) SSTR5SSTR1ACHEBACE1HRH1
SCHEMBL2418751 0.81 SSTR5 (0.56) SSTR5SSTR1HRH1KCNH2
SCHEMBL3774885 0.81 SSTR5 (0.52) SSTR5ACHEBACE1
SCHEMBL3783975 0.80 SSTR5 (0.57) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL2421796 0.80 SSTR5 (0.57) SSTR5SSTR1HRH1HTR2BKCNH2

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-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
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN 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 1/4885SSTR1 3/4885ACHE 3332/4885

“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.