SCHEMBL4140613

SCHEMBL4140613

CC(C)(C)OC(=O)N1CCCC(CNCc2cc3c(cn2)OCCO3)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
SCN9A Q15858 1/20 0.44
IRAK1 P51617 1/20 0.44
ACKR3 P25106 1/20 0.44
HTR6 P50406 7/20 0.44
BCHE P06276 4/20 0.44
METTL3 Q86U44 1/20 0.44
GLS O94925 2/20 0.43
KDM1A O60341 1/20 0.42
BACE1 P56817 2/20 0.42
CTSD P07339 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MERTK Q12866 1/20 0.40

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
SCHEMBL4149910 0.94 IDO1 (0.47) IDO1TDO2
SCHEMBL14514796 0.83 HTR6 (0.49) ACKR3HTR6BCHEMETTL3KDM1A
SCHEMBL10313867 0.82 USP30 (0.48)
SCHEMBL4141503 0.80 SCN9A (0.41) CYP2C9SCN9AIRAK1ACKR3HTR6
SCHEMBL6079327 0.78 KCNH2 (0.44)
SCHEMBL29279182 0.74 HTR6 (0.51) CYP2C9SCN9AIRAK1ACKR3HTR6
SCHEMBL29279183 0.74 HTR6 (0.51) CYP2C9SCN9AIRAK1ACKR3HTR6
SCHEMBL4300796 0.74 MAPT (0.41)
SCHEMBL5747966 0.73 NAMPT (0.40)
SCHEMBL16162585 0.73 USP30 (0.41) IDO1TDO2

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 14 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-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US 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-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 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-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 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
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 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 CYP2C9 2884/4885SCN9A 3288/4885IRAK1 784/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 CYP2C9 2678/4885SCN9A 3364/4885IRAK1 820/4885

“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.