SCHEMBL4078142

SCHEMBL4078142

CC(C[CH]C(=O)N[C@H]1CCCNCC1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.42
POLB P06746 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
HTR4 Q13639 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
SCHEMBL17152483 0.87 EPHX1 (0.41) EPHX1NPC1SMN1; SMN2RAB9AHTT
SCHEMBL15618596 0.87 EPHX1 (0.38) EPHX1NPC1SMN1; SMN2RAB9AHTT
SCHEMBL5099310 0.80 KDM4E (0.35)
SCHEMBL17152289 0.78 OPRK1 (0.34) POLBNPC1SMN1; SMN2RAB9A
SCHEMBL17152280 0.77 EPHX2 (0.35) SIGMAR1
SCHEMBL17152404 0.75 SMN1; SMN2 (0.43) EPHX1SMN1; SMN2GAAHTR4
SCHEMBL17152502 0.74 PARP1 (0.41) NPC1SMN1; SMN2RAB9AHTR4
SCHEMBL17152226 0.74 ALDH1A1 (0.41) POLB
SCHEMBL17152590 0.73 MEN1 (0.40) SIGMAR1HTR4
SCHEMBL17152152 0.73 MEN1 (0.40) SIGMAR1HTR4

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
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 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-20070293477-A1 Novel Compounds HRH4, TRPV4, TRPC4 EPHX1 600/4885POLB 4864/4885GNAI3 1442/4885

“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.