SCHEMBL768196

SCHEMBL768196

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCC1CCN(c2ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
CHRM2 P08172 1/20 0.39
ACHE P22303 1/20 0.39
USP30 Q70CQ3 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL768948 0.89 MCHR1 (0.43) MCHR1CHRM2ACHE
SCHEMBL768753 0.86 MCHR1 (0.42) MCHR1CHRM2ACHEUSP30
SCHEMBL768850 0.86 CHRM2 (0.41) MCHR1CHRM2ACHEUSP30GPR119
SCHEMBL768307 0.86 MCHR1 (0.42) MCHR1CHRM2ACHEUSP30GPR119
SCHEMBL769174 0.85 MCHR1 (0.41) MCHR1CHRM2ACHEUSP30GPR119
SCHEMBL768562 0.85 MCHR1 (0.41) MCHR1CHRM2ACHEUSP30GPR119
SCHEMBL380182 0.84 CHRM2 (0.56) CHRM2
SCHEMBL768481 0.84 CHRM2 (0.39) MCHR1CHRM2ACHEUSP30GPR119
SCHEMBL767187 0.82 CHRM2 (0.39) MCHR1CHRM2ACHEUSP30GPR119
SCHEMBL768428 0.80 MCHR1 (0.36) MCHR1CHRM2USP30GPR119

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 MCHR1 239/4885CHRM2 2/4885ACHE 687/4885

“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.