SCHEMBL12366602

SCHEMBL12366602

CC1C=C(c2cc(F)c(F)cc2F)c2cc(C(=O)N=C(N)N)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 11/20 0.40
HTR7 P34969 10/20 0.40
HTR5A P47898 5/20 0.38
SLC9A1 P19634 2/20 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
SCHEMBL12366603 0.91 HTR5A (0.40) HTR2BHTR7HTR5A
SCHEMBL12366596 0.89 SLC9A1 (0.47) HTR2BHTR7HTR5ASLC9A1
SCHEMBL12366552 0.89 SLC9A1 (0.46) HTR2BHTR7HTR5ASLC9A1
SCHEMBL12366575 0.88 HTR2B (0.46) HTR2BHTR7HTR5ASLC9A1
SCHEMBL12366489 0.88 SLC9A1 (0.42) HTR2BHTR7HTR5ASLC9A1
SCHEMBL12366550 0.88 HTR5A (0.47) HTR2BHTR7HTR5ASLC9A1
SCHEMBL12366573 0.87 HTR2B (0.47) HTR2BHTR7HTR5ASLC9A1
SCHEMBL12366611 0.87 HTR2B (0.39) HTR2BHTR7HTR5ASLC9A1
SCHEMBL12366595 0.86 SLC9A1 (0.46) HTR2BHTR7HTR5ASLC9A1
SCHEMBL12366591 0.85 HTR2B (0.51) 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 2 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

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 HTR2B 7/4885HTR7 13/4885HTR5A 1/4885

“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.