SCHEMBL768057

SCHEMBL768057

COc1cc(NCCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)ccc1C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.37
SLC2A1 P11166 2/20 0.34
ADRB2 P07550 4/20 0.34
CHRM3 P20309 4/20 0.34
CD274 Q9NZQ7 1/20 0.33
BCHE P06276 1/20 0.33
CHRM2 P08172 1/20 0.33
ACHE P22303 1/20 0.33
MTTP P55157 1/20 0.33
MCHR1 Q99705 2/20 0.33
HTR4 Q13639 2/20 0.33
GSK3A P49840 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
DRD4 P21917 1/20 0.32
HTR3A P46098 1/20 0.32
MAPK14 Q16539 1/20 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
SCHEMBL768450 0.91 SLC2A1 (0.36) TRPV4SLC2A1ADRB2CHRM3BCHE
SCHEMBL768531 0.90 HTR4 (0.36) TRPV4SLC2A1ADRB2CHRM3HTR4
SCHEMBL768563 0.90 CHRM2 (0.38) TRPV4SLC2A1ADRB2CHRM3CHRM2
SCHEMBL768056 0.86 SLC2A1 (0.36) TRPV4SLC2A1ADRB2CHRM3BCHE
SCHEMBL380349 0.86 SLC2A1 (0.49) SLC2A1ADRB2CHRM3CHRM2
SCHEMBL769390 0.84 TRPV4 (0.36) TRPV4ADRB2CHRM3HTR1ADRD4
SCHEMBL769370 0.83 HDAC6 (0.33) SLC2A1ADRB2CHRM3CHRM2MCHR1
SCHEMBL768998 0.83 HTR2A (0.35) CHRM2HTR1AHTR7
SCHEMBL768337 0.81 CHRM3 (0.42) SLC2A1CHRM3CHRM2
SCHEMBL768439 0.80 CHRM2 (0.39) TRPV4SLC2A1ADRB2CHRM3CHRM2

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 TRPV4 308/4885SLC2A1 1942/4885ADRB2 47/4885

“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.