SCHEMBL3780701

SCHEMBL3780701

CCOc1cc(CN2CCC(Nc3ncc(CC)cn3)CC2)cc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
MCHR1 Q99705 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4230507 0.95 SSTR5 (0.44) SSTR5HRH1HTR2BKDM4ELMNA
SCHEMBL3774157 0.86 SSTR5 (0.51) SSTR5HRH1HTR2BLMNAMCHR1
SCHEMBL3780532 0.82 SSTR5 (0.52) SSTR5HRH1HTR2BMCHR1ACHE
SCHEMBL4236818 0.81 SSTR5 (0.47) SSTR5HRH1HTR2BLMNAMCHR1
SCHEMBL3779040 0.79 SSTR5 (0.55) SSTR5HRH1HTR2BALDH1A1ACHE
SCHEMBL3767936 0.78 SSTR5 (0.46) SSTR5HRH1HTR2BLMNAMCHR1
SCHEMBL3775854 0.78 ACHE (0.51) SSTR5HRH1HTR2BMCHR1ACHE
SCHEMBL3784112 0.77 SSTR5 (0.58) SSTR5HRH1HTR2B
SCHEMBL1874903 0.77 SSTR5 (0.50) SSTR5HRH1HTR2BLMNAHTT
SCHEMBL3769476 0.76 SSTR5 (0.50) SSTR5HRH1HTR2BMCHR1ACHE

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 5 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
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO 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 140/4885HTR2B 106/4885

“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.