SCHEMBL948992

SCHEMBL948992

CN(C)Cc1nc(CN(C(=O)OC(C)(C)C)C2CCN(Cc3ccccc3)CC2)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 9/20 0.48
DCUN1D1 Q96GG9 9/20 0.48
OPRM1 P35372 3/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD11B1 P28845 1/20 0.42
CCR4 P51679 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CCR5 P51681 1/20 0.38

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
SCHEMBL948615 0.93 UBE2M (0.46) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL948165 0.91 UBE2M (0.45) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL949604 0.90 UBE2M (0.48) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL6220319 0.90 DCUN1D1 (0.51) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL949384 0.88 UBE2M (0.47) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL6218807 0.82 UBE2M (0.49) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL947326 0.81 OPRM1 (0.46) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL6218746 0.81 DCUN1D1 (0.48) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL6219028 0.80 DCUN1D1 (0.52) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL6219594 0.77 CHRM2 (0.50) UBE2MDCUN1D1OPRM1CHRM2CHRM3

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 UBE2M 3668/4885DCUN1D1 3135/4885OPRM1 64/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 UBE2M 3895/4885DCUN1D1 3286/4885OPRM1 90/4885

“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.