SCHEMBL7911045

SCHEMBL7911045

COc1ccc(-c2cccc3ccc(C(=O)N=C(N)N)cc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
HTR5A P47898 9/20 0.46
SLC9A1 P19634 4/20 0.44
HTR7 P34969 5/20 0.43
HTR2B P41595 5/20 0.43
MTNR1A P48039 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL7919729 0.91 HTR5A (0.47) HTR5ASLC9A1HTR7HTR2BMTNR1A
SCHEMBL16502757 0.88 HTR2B (0.46) HTR5ASLC9A1HTR7HTR2BMTNR1A
SCHEMBL7919071 0.88 PLAU (0.46) HTR5ASLC9A1HTR7HTR2BMTNR1A
SCHEMBL7919962 0.88 HTR5A (0.51) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7906714 0.85 HTR5A (0.55) HTR5ASLC9A1HTR7HTR2BDRD2
SCHEMBL7914839 0.84 HTR5A (0.50) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7910861 0.84 SLC9A1 (0.41) HTR5ASLC9A1HTR7HTR2BMTNR1A
SCHEMBL7919380 0.84 SLC9A1 (0.48) HTR5ASLC9A1HTR7HTR2BMTNR1A
SCHEMBL16502553 0.84 KDM4E (0.55) GRM2MTNR1A
SCHEMBL16502736 0.84 HTR5A (0.60) HTR5ASLC9A1HTR7HTR2BDRD2

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A GRM2 147/4885HTR5A 1/4885SLC9A1 1256/4885

“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.