SCHEMBL9907642

SCHEMBL9907642

CC(C)c1cnc(-c2c(F)cccc2F)c2cc(C(=O)O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.57
ACE2 Q9BYF1 4/20 0.49
TTR P02766 1/20 0.42
SLC22A12 Q96S37 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RORC P51449 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
SCHEMBL9907717 0.89 HTR5A (0.71) HTR5AACE2TTRCSNK2A2CSNK2B
SCHEMBL9107379 0.87 HTR5A (0.54) HTR5A
SCHEMBL9907523 0.85 HTR5A (0.69) HTR5ATTRCSNK2A2CSNK2B
SCHEMBL9907629 0.85 HTR5A (0.71) HTR5ATTRSLC22A12CSNK2A2CSNK2B
SCHEMBL9907741 0.84 HTR5A (0.58) HTR5ATTRRORC
SCHEMBL9907928 0.84 HTR5A (0.82) HTR5A
SCHEMBL9907684 0.82 HTR5A (0.53) HTR5AACE2TTRSLC22A12CSNK2A2
SCHEMBL9907658 0.82 HTR5A (0.71) HTR5ATTRCSNK2A2CSNK2BRORC
SCHEMBL9907638 0.80 HTR5A (0.62) HTR5ATTRSLC22A12CSNK2A2CSNK2B
SCHEMBL16151830 0.80 HTR5A (0.53) HTR5AACE2TTRCSNK2A2CSNK2B

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 2 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

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 1/4885ACE2 3336/4885TTR 3634/4885

“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.