SCHEMBL950091

SCHEMBL950091

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM3 P20309 9/20 0.41
CHRM2 P08172 8/20 0.41
DRD2 P14416 4/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
HTR2A P28223 1/20 0.38
ACHE P22303 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRK1 P41145 1/20 0.37
CXCR4 P61073 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
SCHEMBL947566 0.89 CHRM3 (0.44) RECQLSMN1; SMN2CHRM3CHRM2DRD2
SCHEMBL949182 0.81 CHRM2 (0.46) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL949176 0.79 CHRM3 (0.51) RECQLSMN1; SMN2CHRM3CHRM2DRD2
SCHEMBL948508 0.76 CHRM3 (0.40) RECQLSMN1; SMN2CHRM3CHRM2DRD2
SCHEMBL949322 0.76 CHRM3 (0.40) RECQLSMN1; SMN2CHRM3CHRM2DRD2
SCHEMBL947327 0.74 CCR8 (0.40) CHRM3CHRM2ACHEOPRM1
SCHEMBL949957 0.73 CHRM3 (0.49) RECQLSMN1; SMN2CHRM3CHRM2DRD2
SCHEMBL950090 0.66 RECQL (0.45) RECQLSMN1; SMN2CHRM3CHRM2DRD2
SCHEMBL950012 0.65 SMN1; SMN2 (0.51) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL295904 0.64 RECQL (0.56) RECQLSMN1; SMN2CHRM3CHRM2DRD2

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 RECQL 3956/4885SMN1; SMN2 3368/4885CHRM3 1166/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 RECQL 3633/4885SMN1; SMN2 3635/4885CHRM3 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.