SCHEMBL4175458

SCHEMBL4175458

C[C@H](NC(=O)CCC1CCCC1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
METAP2 P50579 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL20857323 0.84 HPGD (0.56) HPGDNPC1RAB9AGAANPSR1
SCHEMBL26903151 0.83 HPGD (0.49) HPGDNPC1RAB9AGAANPSR1
SCHEMBL4341580 0.82 HPGD (0.59) HPGDNPC1RAB9AGAANPSR1
SCHEMBL22827996 0.79 HPGD (0.45) HPGDNPC1RAB9AGAANPSR1
SCHEMBL10633868 0.77 HPGD (0.43) HPGDNPC1RAB9AGAAALDH1A1
SCHEMBL27514922 0.77 HPGD (0.49) HPGDNPC1RAB9AGAANPSR1
SCHEMBL5611866 0.77 HPGD (0.49) HPGDNPC1RAB9AGAAALDH1A1
SCHEMBL24158323 0.75 HPGD (0.47) HPGDNPC1RAB9AGAANPSR1
SCHEMBL8864988 0.74 HPGD (0.46) HPGDNPC1RAB9AGAANPSR1
SCHEMBL8864936 0.74 HPGD (0.46) HPGDNPC1RAB9AGAANPSR1

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-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 HPGD 1158/4885NPC1 386/4885RAB9A 2302/4885

“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.