SCHEMBL947566

SCHEMBL947566

CN(C)CN1C=C2C(=O)N(C3CCN(Cc4ccccc4)CC3)CN2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.44
CHRM2 P08172 8/20 0.44
DRD2 P14416 6/20 0.41
DRD4 P21917 5/20 0.41
DRD3 P35462 5/20 0.41
ACHE P22303 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL950091 0.89 RECQL (0.44) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL949182 0.86 CHRM2 (0.46) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL949176 0.83 CHRM3 (0.51) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL948508 0.79 CHRM3 (0.40) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL949322 0.79 CHRM3 (0.40) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL947327 0.78 CCR8 (0.40) CHRM3CHRM2ACHEOPRM1SIGMAR1
SCHEMBL949957 0.77 CHRM3 (0.49) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL950012 0.70 SMN1; SMN2 (0.51) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL947737 0.70 SMN1; SMN2 (0.48) CHRM2SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL3063714 0.68 CHRM2 (0.63) CHRM3CHRM2DRD2DRD4DRD3

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 CHRM3 1166/4885CHRM2 576/4885DRD2 77/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CHRM3 1727/4885CHRM2 1002/4885DRD2 227/4885

“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.