SCHEMBL949606

SCHEMBL949606

CNCc1nc(C(N(C(=O)O)C2CCN(Cc3ccccc3)CC2)C(C)(C)C)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
CACNA1G O43497 1/20 0.39
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
KCNH2 Q12809 1/20 0.38
OPRD1 P41143 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM3 P20309 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL949904 0.89 OPRM1 (0.42) OPRM1UBE2MDCUN1D1KCNH2OPRD1
SCHEMBL948614 0.87 ACHE (0.44) OPRM1UBE2MDCUN1D1KCNH2CHRM2
SCHEMBL948166 0.86 OPRM1 (0.39) OPRM1UBE2MDCUN1D1KCNH2CHRM2
SCHEMBL949385 0.85 SIGMAR1 (0.41) OPRM1UBE2MDCUN1D1KCNH2CHRM2
SCHEMBL6219028 0.80 DCUN1D1 (0.52) OPRM1UBE2MDCUN1D1CHRM2CHRM3
SCHEMBL947328 0.79 OPRM1 (0.43) OPRM1UBE2MDCUN1D1KCNH2CHRM2
SCHEMBL949604 0.76 UBE2M (0.48) OPRM1UBE2MDCUN1D1CHRM2CHRM3
SCHEMBL948316 0.73 OPRM1 (0.46) OPRM1KCNH2CHRM2CHRM3MEN1
SCHEMBL949666 0.73 OPRM1 (0.37) OPRM1KCNH2CHRM2CHRM3SIGMAR1
SCHEMBL948540 0.69 OPRM1 (0.37) OPRM1KCNH2CHRM2CHRM3MEN1

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 2 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

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 OPRM1 64/4885CACNA1G 1466/4885UBE2M 3668/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 OPRM1 90/4885CACNA1G 1860/4885UBE2M 3895/4885

“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.