SCHEMBL5780958

SCHEMBL5780958

C[C@@H](NC(=O)C1(N)CC1)c1ccc(-c2cccc(F)c2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.46
ROCK2 O75116 2/20 0.40
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
AKT3 Q9Y243 2/20 0.40
KCNH2 Q12809 1/20 0.40
BRS3 P32247 5/20 0.39
PDE2A O00408 1/20 0.39
RPS6KB1 P23443 2/20 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
SCHEMBL5783737 0.79 BDKRB1 (0.51) BDKRB1
SCHEMBL4985691 0.72 BDKRB1 (0.55) BDKRB1
SCHEMBL27656817 0.72 BDKRB1 (0.55) BDKRB1
SCHEMBL5783113 0.70 BDKRB1 (0.52) BDKRB1
SCHEMBL5782528 0.70 BDKRB1 (0.64) BDKRB1
SCHEMBL5782125 0.70 BDKRB1 (0.63) BDKRB1
SCHEMBL7930737 0.69 MEN1 (0.50) BRS3
SCHEMBL5560681 0.69 HDAC3 (0.59) PDE2A
SCHEMBL5043487 0.69 HDAC3 (0.59) PDE2A
SCHEMBL1927711 0.69 FOLH1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091380-B2 N-biphenylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2006-08-15 US disclosed
EP-1476419-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO INC (US) 2006-02-01 EP disclosed
EP-1501787-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6919343-B2 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK & CO., INC. (US) 2005-07-19 US disclosed
US-20050085667-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2005-04-21 US disclosed
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists WOOD MICHAEL R (US) 2005-04-21 US disclosed
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK SHARP & DOHME LLC 2003-11-27 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 (3 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-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives BDKRB1, BDKRB2, CNR2 BDKRB1 1/4885ROCK2 3219/4885AKT1 1827/4885
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists BDKRB1, BDKRB2, CNR2 BDKRB1 1/4885ROCK2 3234/4885AKT1 1805/4885
US-20050085667-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885ROCK2 3354/4885AKT1 1936/4885

“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.