SCHEMBL4136545

SCHEMBL4136545

CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)[C@@H]1CCN(C(=O)O)C[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
PIK3CA P42336 2/20 0.34
MAPT P10636 5/20 0.34
USP30 Q70CQ3 2/20 0.34
HSD11B1 P28845 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
TP53 P04637 2/20 0.32
THRB P10828 2/20 0.32
LMNA P02545 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 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
SCHEMBL3230322 1.00 KCNH2 (0.35) KCNH2PIK3CAMAPTUSP30HSD11B1
SCHEMBL3225484 0.87 HSD11B1 (0.41) MAPTUSP30HSD11B1NR1H4AAK1
SCHEMBL12090974 0.84 NPC1 (0.33) KCNH2
SCHEMBL10313858 0.82 KCNH2 (0.32) KCNH2
SCHEMBL3223462 0.82 KCNH2 (0.32) KCNH2
SCHEMBL10313855 0.81 KCNH2 (0.32) KCNH2
SCHEMBL11999874 0.81 HSD11B1 (0.38) PIK3CAMAPTHSD11B1NR1H4TP53
SCHEMBL3223473 0.79 KCNH2 (0.34) KCNH2LMNA
SCHEMBL3225490 0.79 CETP (0.36) MAPTHSD11B1NR1H4AAK1TP53
SCHEMBL2799351 0.79 PIK3CA (0.37) KCNH2PIK3CAMAPTHSD11B1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 KCNH2 248/4885PIK3CA 3365/4885MAPT 4869/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 KCNH2 260/4885PIK3CA 3669/4885MAPT 4873/4885

“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.