SCHEMBL4134832

SCHEMBL4134832

CC(C)C[C@H](NC(=O)CC1CCCC1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CTSD P07339 1/20 0.41
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.39
CNR1 P21554 4/20 0.39
HPGDS O60760 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4145751 0.98 PSEN1 (0.44) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL8895660 0.86 ALDH1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4313039 0.84 ALDH1A1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4313036 0.84 ALDH1A1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7359870 0.81 HPGD (0.43) CTSDEPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL7359864 0.81 HPGD (0.43) CTSDEPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL4136042 0.78 CTSK (0.54) CNR2CNR1SMN1; SMN2
SCHEMBL4141669 0.78 TSHR (0.51) HPGDKMT2ASMN1; SMN2
SCHEMBL7882899 0.77 KMT2A (0.53) CTSDEPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL4144410 0.77 CTSK (0.55) CNR2BCHECNR1SMN1; SMN2

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 CNR2 57/4885PSEN1 2734/4885PSEN2 3091/4885

“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.