SCHEMBL768481

SCHEMBL768481

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCOCCNc1ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
MCHR1 Q99705 1/20 0.39
DRD2 P14416 2/20 0.34
USP30 Q70CQ3 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
CHRM3 P20309 3/20 0.33
ADRB2 P07550 2/20 0.33
ACHE P22303 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
CCR5 P51681 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LIMK2 P53671 1/20 0.32
BACE1 P56817 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL768850 0.94 CHRM2 (0.41) CHRM2MCHR1DRD2USP30TRPV4
SCHEMBL768307 0.94 MCHR1 (0.42) CHRM2MCHR1DRD2USP30TRPV4
SCHEMBL769174 0.93 MCHR1 (0.41) CHRM2MCHR1DRD2USP30TRPV4
SCHEMBL768562 0.92 MCHR1 (0.41) CHRM2MCHR1DRD2USP30TRPV4
SCHEMBL767187 0.92 CHRM2 (0.39) CHRM2MCHR1DRD2USP30TRPV4
SCHEMBL767544 0.90 CHRM2 (0.41) CHRM2MCHR1DRD2CHRM3ADRB2
SCHEMBL768428 0.87 MCHR1 (0.36) CHRM2MCHR1DRD2USP30TRPV4
SCHEMBL768396 0.87 MCHR1 (0.36) CHRM2MCHR1DRD2USP30TRPV4
SCHEMBL768715 0.86 MCHR1 (0.35) CHRM2MCHR1DRD2USP30TRPV4
SCHEMBL381139 0.85 CHRM2 (0.55) CHRM2CHRM3ADRB2

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 CHRM2 2/4885MCHR1 239/4885DRD2 294/4885

“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.