SCHEMBL768575

SCHEMBL768575

CN(CCCCCC(=O)N(C)CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)Cc1ccc(C(=O)CCCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.38
ACHE P22303 6/20 0.38
MCHR1 Q99705 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 1/20 0.36
CYP2J2 P51589 3/20 0.34
ADRB2 P07550 2/20 0.34
CHRM3 P20309 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA13 Q8N1Q1 2/20 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
Hydrochloric Acid SCHEMBL769038 0.86 KDM4A (0.38) BCHEACHEMCHR1CHRM2HTR1A
SCHEMBL381126 0.85 CHRM2 (0.53) CHRM2ADRB2CHRM3
SCHEMBL768576 0.85 BCHE (0.36) BCHEACHEMCHR1CHRM2CHRM1
SCHEMBL768753 0.84 MCHR1 (0.42) ACHEMCHR1CHRM2ADRB2CHRM3
SCHEMBL768562 0.82 MCHR1 (0.41) ACHEMCHR1CHRM2ADRB2CHRM3
SCHEMBL769174 0.81 MCHR1 (0.41) ACHEMCHR1CHRM2ADRB2CHRM3
SCHEMBL768695 0.81 DRD2 (0.39) DRD2
SCHEMBL768307 0.81 MCHR1 (0.42) ACHEMCHR1CHRM2ADRB2CHRM3
SCHEMBL768428 0.80 MCHR1 (0.36) MCHR1CHRM2ADRB2CHRM3DRD2
SCHEMBL768850 0.80 CHRM2 (0.41) ACHEMCHR1CHRM2ADRB2CHRM3

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 687/4885MCHR1 239/4885

“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.