SCHEMBL5356058

SCHEMBL5356058

COC(=O)c1c(F)cccc1-c1cnc(C#N)nc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.47
BRS3 P32247 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3118567 0.84 BDKRB1 (0.50) BDKRB1
Hydrochloric Acid SCHEMBL5364075 0.79 BDKRB1 (0.49) BDKRB1BRS3
SCHEMBL2949771 0.77 BDKRB1 (0.59) BDKRB1
SCHEMBL29706678 0.76 BDKRB1 (0.57) BDKRB1MEN1KMT2A
SCHEMBL3122561 0.74 BDKRB1 (0.53) BDKRB1
SCHEMBL18708559 0.74 FEN1 (0.53)
SCHEMBL1586686 0.74 BDKRB1 (0.53) BDKRB1
SCHEMBL8179672 0.74 BDKRB1 (0.58) BDKRB1
SCHEMBL1070351 0.72 CA12 (0.61) BDKRB1MEN1KMT2A
SCHEMBL6109451 0.71 BDKRB1 (0.70) BDKRB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163951-B2 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2007-01-16 US disclosed
US-20050288305-A1 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. 2005-12-29 US disclosed
EP-1545538-A2 N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004019868-A2 N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 2004-03-11 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-20050288305-A1 N-biarylmethyl aminocycloalkanecarboxamide derivatives BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885BRS3 59/4885MEN1 2991/4885

“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.