SCHEMBL10110801

SCHEMBL10110801

COc1ccc(OCCCNC(=O)OC(C)(C)C)c2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
TDP1 Q9NUW8 1/20 0.43
METAP2 P50579 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A43 Q9HB55 1/20 0.41

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
SCHEMBL706941 0.86 CA12 (0.45) DRD2CA12CA1CA2CA9
SCHEMBL16572306 0.84 CA1 (0.48) DRD2CA12CA1CA2CA9
SCHEMBL709548 0.82 CA1 (0.44) DRD2CA12CA1CA2CA9
SCHEMBL3514820 0.81 MTNR1A (0.61) DRD2CA12CA1CA2CA9
SCHEMBL7137131 0.79 CA1 (0.45) DRD2CA12CA1CA2CA9
SCHEMBL3020849 0.78 CA12 (0.51) DRD2CA12CA1CA2CA9
SCHEMBL6927334 0.77 METAP2 (0.44) DRD2CA12CA1CA2CA9
SCHEMBL5962704 0.77 MGLL (0.58) DRD2CA12CA1CA2CA9
SCHEMBL8457415 0.77 TSHR (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL2830568 0.77 MTNR1A (0.67) DRD2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 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 (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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 DRD2 761/4885CA12 1671/4885CA1 1098/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B DRD2 1118/4885CA12 1711/4885CA1 1417/4885

“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.