SCHEMBL13424924

SCHEMBL13424924

O=C(NC1CC1)c1cccc(-c2ccc([C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
USP30 Q70CQ3 2/20 0.51
TMEM97 Q5BJF2 5/20 0.49
SIGMAR1 Q99720 5/20 0.49
PPARG P37231 2/20 0.45
EPHX1 P07099 1/20 0.44
NPC1 O15118 2/20 0.44
AXL P30530 1/20 0.44
MERTK Q12866 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PREP P48147 1/20 0.44

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
SCHEMBL3200557 1.00 DRD2 (0.51) DRD2DRD4USP30TMEM97SIGMAR1
SCHEMBL3212933 0.92 TMEM97 (0.52) DRD2DRD4TMEM97SIGMAR1EPHX1
SCHEMBL13424945 0.92 TMEM97 (0.52) DRD2DRD4TMEM97SIGMAR1EPHX1
SCHEMBL13456002 0.91 TMEM97 (0.53) DRD2DRD4USP30TMEM97SIGMAR1
SCHEMBL13424943 0.88 SIGMAR1 (0.49) TMEM97SIGMAR1EPHX1MEN1KMT2A
SCHEMBL3212764 0.88 SIGMAR1 (0.49) TMEM97SIGMAR1EPHX1MEN1KMT2A
SCHEMBL3222621 0.88 TMEM97 (0.47) DRD2DRD4USP30TMEM97SIGMAR1
SCHEMBL4997276 0.86 TMEM97 (0.48) TMEM97SIGMAR1PPARG
SCHEMBL13424899 0.84 MEN1 (0.53) USP30TMEM97SIGMAR1EPHX1MEN1
SCHEMBL3212971 0.84 MEN1 (0.53) USP30TMEM97SIGMAR1EPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (2 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 DRD2 4355/4885DRD4 2971/4885USP30 4072/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 DRD2 4355/4885DRD4 2971/4885USP30 4072/4885

“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.