SCHEMBL4276140

SCHEMBL4276140

[O-][n+]1cccc(-c2cc(C3CCCN3)on2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.39
CHRM3 P20309 5/20 0.39
CHRM2 P08172 5/20 0.39
CHRM1 P11229 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
FAAH O00519 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL16464687 0.82 NPC1 (0.51) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL16464688 0.82 NPC1 (0.51) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL3924567 0.77 NPC1 (0.39) NPC1RAB9AFAAHCES2
SCHEMBL4036212 0.77 CHRNB2 (0.54) CHRM5CHRM3CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL5567256 0.76 NOTUM (0.45) CHRM5CHRM3CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL5568885 0.76 CHRM5 (0.40) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL21065159 0.73 CHRM2 (0.44) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL3852786 0.71 CHRNB2 (0.51) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL3852788 0.71 CHRNB2 (0.51) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL3851702 0.71 CHRNB2 (0.51) CHRM5CHRM3CHRM2CHRM1CHRM4

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
EP-1869032-B8 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-03-25 EP disclosed
EP-1869032-B1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2008-08-13 EP disclosed
US-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 US disclosed
EP-1869032-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106307-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-10-12 WO 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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents IGF1R, TYMP, IGFBP1 CHRM5 4678/4885CHRM3 4726/4885CHRM2 4720/4885

“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.