SCHEMBL4131135

SCHEMBL4131135

CC1CC(N(Cc2cc3c(cn2)OCCO3)C(=O)O)CCN1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
POLB P06746 2/20 0.37
CHRM5 P08912 1/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10313823 0.89 HSD11B1 (0.41) OPRM1UBE2MDCUN1D1JAK2JAK1
SCHEMBL10314049 0.87 CYP2D6 (0.37) JAK2JAK1TYK2JAK3LMNA
SCHEMBL3515920 0.86 CHRM2 (0.53) OPRM1UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL4129458 0.77 KCNH2 (0.49) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL909709 0.77 UBE2M (0.40) UBE2MDCUN1D1LMNATSHRKCNH2
SCHEMBL4144883 0.77 KCNH2 (0.33) TSHRALDH1A1GAAHPGDKDM4E
SCHEMBL13167708 0.76 LMNA (0.46) OPRM1UBE2MDCUN1D1LMNACHRM2
SCHEMBL4136611 0.76 KCNH2 (0.54) KCNH2
SCHEMBL3329038 0.75 LNPEP (0.37) UBE2MDCUN1D1LMNATSHRKCNH2
SCHEMBL3367039 0.74 LMNA (0.34) UBE2MDCUN1D1LMNATSHRPOLB

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 OPRM1 1251/4885UBE2M 3290/4885DCUN1D1 856/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 OPRM1 1440/4885UBE2M 3579/4885DCUN1D1 733/4885

“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.