SCHEMBL9946576

SCHEMBL9946576

CNc1cc(N2CCC(C(F)(F)F)CC2)c(C(=O)NCC(F)(F)F)cc1N

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 19/20 0.45
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL9898559 0.92 PTGES (0.47) PTGES
SCHEMBL9946780 0.92 PTGES (0.44) PTGES
SCHEMBL9898794 0.90 PTGES (0.48) PTGESSCN10A
SCHEMBL9944992 0.84 PTGES (0.40) PTGES
SCHEMBL9946857 0.83 PTGES (0.39) PTGES
SCHEMBL9898451 0.83 KDM4E (0.45) SCN10A
SCHEMBL9897728 0.81 ALDH1A1 (0.40) SCN10A
SCHEMBL9946613 0.81 PTGES (0.46) PTGESSCN10A
SCHEMBL9946574 0.80 PTGES (0.46) PTGES
SCHEMBL9946853 0.80 PTGES (0.46) PTGES

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PTGES 3/4885SCN10A 3058/4885

“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.