SCHEMBL17830449

SCHEMBL17830449

CCN(CC)C(=O)CN(C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR2 O43614 4/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
TSPO P30536 1/20 0.33
HTR1A P08908 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL24707809 0.82 CA12 (0.31) LMNA
SCHEMBL25132577 0.78 MAOA (0.30)
SCHEMBL12205473 0.78 CHRNB2 (0.40) ALDH1A1
SCHEMBL13434931 0.78 LMNA (0.55) LMNAMEN1KMT2AHCRTR2MMP1
SCHEMBL19275262 0.76 CHRNB2 (0.30)
SCHEMBL20326180 0.74 LMNA (0.41) LMNAMEN1KMT2AHCRTR2MMP1
SCHEMBL25724265 0.74 PIK3CD (0.38) LMNAALDH1A1
SCHEMBL21565937 0.73 LMNA (0.50) LMNAMEN1KMT2AHCRTR2MMP1
SCHEMBL25931952 0.72 ACACB (0.32)
SCHEMBL14577189 0.71 CA12 (0.45) LMNAMEN1KMT2AHCRTR2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9775831-B2 Combinations comprising biphenyl derivatives for use in the treatment of HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9775831-B2 Combinations comprising biphenyl derivatives for use in the treatment of HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV BRISTOL MYERS SQUIBB CO (US) 2016-06-16 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-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV HAVCR2, EIF2AK2, MAVS LMNA 4523/4885MEN1 4864/4885KMT2A 3757/4885

“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.