SCHEMBL5363367

SCHEMBL5363367

CCOC(=O)C1(NC(=O)c2cncnc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.46
LATS1 O95835 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
GABRA1 P14867 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CTSL P07711 1/20 0.34
ACACB O00763 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
CTSK P43235 1/20 0.34
GPR132 Q9UNW8 1/20 0.34

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
SCHEMBL2540067 0.94 BDKRB1 (0.50) BDKRB1LATS1SMN1; SMN2MEN1KMT2A
SCHEMBL5803084 0.86 BDKRB1 (0.44) BDKRB1DGAT2CTSLL3MBTL1CTSK
SCHEMBL2788212 0.85 BDKRB1 (0.41) BDKRB1LATS1SMN1; SMN2SIRT2DGAT2
SCHEMBL6045088 0.80 BDKRB1 (0.44) BDKRB1SPHK1CTSLCTSKGPR132
SCHEMBL5354663 0.78 GPR132 (0.43) BDKRB1LATS1CTSLCTSKGPR132
SCHEMBL21656898 0.76 GABRA1 (0.39) BDKRB1LATS1SMN1; SMN2MEN1KMT2A
SCHEMBL2788368 0.76 SPHK1 (0.37) BDKRB1SPHK1L3MBTL1
SCHEMBL2790331 0.75 BDKRB1 (0.43) BDKRB1KMT2ADGAT2CTSLL3MBTL1
SCHEMBL1740344 0.74 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ADGAT2CTSL
SCHEMBL8950840 0.73 SMN1; SMN2 (0.40) LATS1SMN1; SMN2MEN1KMT2AL3MBTL1

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 1/4885LATS1 3014/4885SMN1; SMN2 3897/4885

“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.