SCHEMBL9107764

SCHEMBL9107764

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.53
ERN1 O75460 6/20 0.46
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9109070 0.91 HTR5A (0.50) HTR5AERN1HCRTR1HCRTR2ALDH1A1
SCHEMBL9907780 0.91 HTR5A (0.53) HTR5AERN1HCRTR1HCRTR2ALDH1A1
SCHEMBL9907517 0.90 HTR5A (0.63) HTR5AALDH1A1ALOX15HTT
SCHEMBL9907707 0.90 HTR5A (0.49) HTR5AERN1ALDH1A1ALOX15HTT
SCHEMBL9907776 0.87 HTR5A (0.54) HTR5AERN1HCRTR1HCRTR2ALDH1A1
SCHEMBL9907628 0.86 HTR5A (0.67) HTR5AALDH1A1
SCHEMBL9907625 0.85 HTR5A (0.51) HTR5AALDH1A1ALOX15HTT
SCHEMBL9907635 0.84 HTR5A (0.59) HTR5A
SCHEMBL9105434 0.84 HTR5A (0.66) HTR5AERN1ALDH1A1ALOX15HTT
SCHEMBL9107379 0.84 HTR5A (0.54) HTR5AERN1ALDH1A1ALOX15HTT

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 9 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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 1/4885ERN1 4720/4885HCRTR1 708/4885

“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.