SCHEMBL12366605

SCHEMBL12366605

CCOc1ccc(C2=CC(C)Oc3ccc(C(=O)N=C(N)N)cc32)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HTR2B P41595 6/20 0.35
HTR7 P34969 5/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CHEK2 O96017 1/20 0.33
SLC9A1 P19634 2/20 0.33
PIK3CA P42336 1/20 0.33
GCK P35557 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HTR5A P47898 2/20 0.32

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
SCHEMBL12366604 0.84 HTR5A (0.41) HTR2BHTR7HTR5A
SCHEMBL12366593 0.79 MKNK1 (0.42) HTR2BHTR7MKNK1MKNK2CHEK2
SCHEMBL12366547 0.79 SLC9A1 (0.41) HTR2BHTR7SLC9A1HTR5A
SCHEMBL12366598 0.79 HTR2B (0.40) HTR2BHTR7SLC9A1
SCHEMBL12366374 0.78 HTR2B (0.47) HTR2BHTR7SLC9A1
SCHEMBL12366611 0.77 HTR2B (0.39) HTR2BHTR7SLC9A1HTR5A
SCHEMBL12366635 0.76 HTR5A (0.49) HTR2BHTR7HTR5A
SCHEMBL12366492 0.76 SLC9A1 (0.39) HTR2BHTR7SLC9A1
SCHEMBL12366644 0.75 HTR2B (0.39) HTR2BHTR7CHEK2SLC9A1
SCHEMBL12366615 0.75 HTR5A (0.40) HTR2BHTR7HTR5A

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 EP 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPT 463/4885HTR2B 7/4885HTR7 13/4885

“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.