SCHEMBL9907720

SCHEMBL9907720

O=C(O)c1ccc2c(C(F)(F)F)cnc(-c3c(F)cccc3F)c2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.53
TTR P02766 2/20 0.42
RORC P51449 7/20 0.40
VNN1 O95497 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9907709 0.86 HTR5A (0.49) HTR5ARORC
SCHEMBL9907523 0.85 HTR5A (0.69) HTR5ATTR
SCHEMBL9907957 0.84 HTR5A (0.78) HTR5ACYP3A4
SCHEMBL9907629 0.82 HTR5A (0.71) HTR5ATTR
SCHEMBL9907658 0.82 HTR5A (0.71) HTR5ATTRRORC
SCHEMBL9907717 0.81 HTR5A (0.71) HTR5ATTR
SCHEMBL9907684 0.80 HTR5A (0.53) HTR5ATTR
SCHEMBL16151830 0.80 HTR5A (0.53) HTR5ATTRRORC
SCHEMBL9907642 0.80 HTR5A (0.57) HTR5ATTRRORC
SCHEMBL9907741 0.79 HTR5A (0.58) HTR5ATTRRORC

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR5A 1/4885TTR 3634/4885RORC 3704/4885

“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.