SCHEMBL4145751

SCHEMBL4145751

CC(C)C[C@H](NC(=O)CC1CCCCC1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
EPHX1 P07099 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSD P07339 2/20 0.43
CNR2 P34972 4/20 0.42
BCHE P06276 1/20 0.41
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
CNR1 P21554 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGDS O60760 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
SCHEMBL4134832 0.98 CNR2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4313039 0.86 ALDH1A1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4313036 0.86 ALDH1A1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8895660 0.84 ALDH1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7359870 0.80 HPGD (0.43) EPHX1HPGDKMT2ACTSDAAK1
SCHEMBL7359864 0.80 HPGD (0.43) EPHX1HPGDKMT2ACTSDAAK1
SCHEMBL4144410 0.78 CTSK (0.55) CNR2BCHEMMP1MMP9MMP14
SCHEMBL7437533 0.78 HPGD (0.57) EPHX1HPGDKMT2ACTSDEPHX2
SCHEMBL23921469 0.77 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4136042 0.77 CTSK (0.54) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 PSEN1 2734/4885PSEN2 3091/4885APH1B 2269/4885

“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.