SCHEMBL949904

SCHEMBL949904

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
CHRM2 P08172 3/20 0.41
CHRM3 P20309 3/20 0.41
KCNH2 Q12809 1/20 0.41
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ACHE P22303 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR4 P51679 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
SCHEMBL948614 0.93 ACHE (0.44) OPRM1CHRM2CHRM3KCNH2UBE2M
SCHEMBL948166 0.91 OPRM1 (0.39) OPRM1CHRM2CHRM3KCNH2UBE2M
SCHEMBL949606 0.89 OPRM1 (0.39) OPRM1CHRM2CHRM3KCNH2UBE2M
SCHEMBL949385 0.86 SIGMAR1 (0.41) OPRM1CHRM2CHRM3KCNH2UBE2M
SCHEMBL6220319 0.80 DCUN1D1 (0.51) OPRM1CHRM2CHRM3KCNH2UBE2M
SCHEMBL947328 0.80 OPRM1 (0.43) OPRM1CHRM2CHRM3KCNH2UBE2M
SCHEMBL948992 0.76 UBE2M (0.48) OPRM1CHRM2CHRM3KCNH2UBE2M
SCHEMBL948316 0.76 OPRM1 (0.46) OPRM1CHRM2CHRM3KCNH2SIGMAR1
SCHEMBL949666 0.74 OPRM1 (0.37) OPRM1CHRM2CHRM3KCNH2SIGMAR1
SCHEMBL6218807 0.73 UBE2M (0.49) OPRM1CHRM2CHRM3KCNH2UBE2M

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 64/4885CHRM2 576/4885CHRM3 1166/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 OPRM1 90/4885CHRM2 1002/4885CHRM3 1727/4885

“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.