SCHEMBL768563

SCHEMBL768563

CN(CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1)C(=O)CCCCCCNc1ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
TRPV4 Q9HBA0 3/20 0.36
MCHR1 Q99705 1/20 0.36
HDAC6 Q9UBN7 5/20 0.33
ADRB2 P07550 2/20 0.32
CHRM3 P20309 2/20 0.32
SIRT5 Q9NXA8 1/20 0.32
HTR1A P08908 2/20 0.32
NPC1 O15118 1/20 0.32
DRD2 P14416 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
HTR7 P34969 1/20 0.32
SLC2A1 P11166 2/20 0.32

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
SCHEMBL768439 0.90 CHRM2 (0.39) CHRM2TRPV4MCHR1HDAC6ADRB2
SCHEMBL768057 0.90 TRPV4 (0.37) CHRM2TRPV4MCHR1ADRB2CHRM3
SCHEMBL769264 0.90 CHRM2 (0.39) CHRM2TRPV4MCHR1HDAC6ADRB2
SCHEMBL768889 0.90 CHRM2 (0.39) CHRM2TRPV4MCHR1HDAC6ADRB2
SCHEMBL769390 0.85 TRPV4 (0.36) TRPV4HDAC6ADRB2CHRM3SIRT5
SCHEMBL768531 0.85 HTR4 (0.36) TRPV4ADRB2CHRM3DRD2SLC2A1
SCHEMBL768562 0.85 MCHR1 (0.41) CHRM2TRPV4MCHR1HDAC6ADRB2
SCHEMBL379962 0.84 CHRM2 (0.56) CHRM2CHRM3SLC2A1
SCHEMBL769140 0.84 CHRM2 (0.36) CHRM2MCHR1ADRB2CHRM3HTR1A
SCHEMBL768337 0.84 CHRM3 (0.42) CHRM2HDAC6CHRM3SIRT5DRD2

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 2/4885TRPV4 308/4885MCHR1 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.