SCHEMBL4136898

SCHEMBL4136898

O=C(O)N(Cc1ccc2c(c1)OC=CO2)C1CCN(CCn2c(=O)cnc3cnccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
OPRM1 P35372 6/20 0.35
UBE2M P61081 4/20 0.35
DCUN1D1 Q96GG9 4/20 0.35
LMNA P02545 1/20 0.35
KCNQ1 P51787 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL4131969 0.91 UBE2M (0.44) KCNH2UBE2MDCUN1D1LMNA
SCHEMBL4128959 0.84 UBE2M (0.44) KCNH2UBE2MDCUN1D1LMNA
SCHEMBL5040115 0.81 UBE2M (0.45) KCNH2UBE2MDCUN1D1LMNA
SCHEMBL10313916 0.80 UBE2M (0.43) KCNH2UBE2MDCUN1D1LMNA
SCHEMBL12080375 0.78 UBE2M (0.45) KCNH2UBE2MDCUN1D1LMNA
SCHEMBL5036915 0.78 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
SCHEMBL5046662 0.77 KCNH2 (0.47) KCNH2UBE2MDCUN1D1LMNAKCNQ1
SCHEMBL5040133 0.77 KCNH2 (0.47) KCNH2UBE2MDCUN1D1LMNA
SCHEMBL4145544 0.77 UBE2M (0.45) KCNH2UBE2MDCUN1D1LMNA
SCHEMBL12079337 0.77 UBE2M (0.45) KCNH2UBE2MDCUN1D1LMNA

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 248/4885OPRM1 1251/4885UBE2M 3290/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 KCNH2 260/4885OPRM1 1440/4885UBE2M 3579/4885

“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.