SCHEMBL6079704

SCHEMBL6079704

N[C@H]1CCN(CC(O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.48
CHRM1 P11229 9/20 0.48
CHRM3 P20309 9/20 0.48
CHRM4 P08173 7/20 0.48
CHRM5 P08912 7/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LTA4H P09960 1/20 0.44
KCNH2 Q12809 3/20 0.43
LMNA P02545 3/20 0.43
HTR1A P08908 2/20 0.43
CYP2D6 P10635 2/20 0.43
OPRM1 P35372 2/20 0.43
KDM4E B2RXH2 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41

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
SCHEMBL6079661 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6079656 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3608442 0.78 MEN1 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL8570755 0.74 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL4305542 0.73 LTA4H (0.48) MEN1KMT2ALTA4HSIGMAR1
SCHEMBL42501 0.71 ACHE (0.58) LTA4HCYP2D6DRD2DRD3SIGMAR1
SCHEMBL330609 0.71 ACHE (0.58) LTA4HCYP2D6DRD2DRD3SIGMAR1
SCHEMBL239922 0.71 ACHE (0.58) LTA4HCYP2D6DRD2DRD3SIGMAR1
SCHEMBL14793661 0.71 ACHE (0.58) LTA4HCYP2D6DRD2DRD3SIGMAR1
SCHEMBL25090864 0.71 HRH2 (0.35) LTA4HHRH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-05-04 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 (1 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-20060094716-A1 1-Pyridin-4-yl-urea derivatives P2RY4, P2RX4, REN CHRM2 63/4885CHRM1 34/4885CHRM3 83/4885

“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.