SCHEMBL768576

SCHEMBL768576

CN(CCCCCC(=O)N(C)CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1)Cc1ccc(C(=O)CCCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.36
ACHE P22303 5/20 0.36
CHRM2 P08172 2/20 0.35
MCHR1 Q99705 1/20 0.34
ADRB2 P07550 4/20 0.34
CHRM3 P20309 4/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP2J2 P51589 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
CHRM1 P11229 1/20 0.33
NPC1 O15118 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL768575 0.85 BCHE (0.38) BCHEACHECHRM2MCHR1ADRB2
SCHEMBL381126 0.84 CHRM2 (0.53) CHRM2ADRB2CHRM3SLC2A1
SCHEMBL768563 0.83 CHRM2 (0.38) CHRM2MCHR1ADRB2CHRM3HTR1A
SCHEMBL768337 0.81 CHRM3 (0.42) CHRM2CHRM3DRD2CHRM1SLC2A1
SCHEMBL767767 0.80 HRH3 (0.41) CHRM2CHRM3HTR1ADRD2HTR7
SCHEMBL768533 0.80 HRH3 (0.41) CHRM2CHRM3HTR1ADRD2HTR7
SCHEMBL768154 0.79 TRPV4 (0.33) CHRM2TRPV4SLC2A1
SCHEMBL768953 0.79 HRH3 (0.42) CHRM2CHRM3HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL768805 0.78 CHRM3 (0.45) CHRM2CHRM3CHRM1SLC2A1
SCHEMBL768640 0.78 CHRM3 (0.45) CHRM2CHRM3CHRM1SLC2A1

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 BCHE 1317/4885ACHE 687/4885CHRM2 2/4885

“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.