SCHEMBL768531

SCHEMBL768531

COc1cc(NCCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)c(Cl)cc1C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.36
ADRB2 P07550 2/20 0.35
CHRM3 P20309 2/20 0.35
SLC2A1 P11166 2/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
DRD4 P21917 4/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL768057 0.90 TRPV4 (0.37) HTR4ADRB2CHRM3SLC2A1TRPV4
SCHEMBL381439 0.86 SLC2A1 (0.48) ADRB2CHRM3SLC2A1
SCHEMBL768530 0.86 ADRB2 (0.36) HTR4ADRB2CHRM3SLC2A1DRD4
SCHEMBL768563 0.85 CHRM2 (0.38) ADRB2CHRM3SLC2A1TRPV4DRD2
SCHEMBL768450 0.81 SLC2A1 (0.36) ADRB2CHRM3SLC2A1TRPV4DRD4
SCHEMBL768337 0.79 CHRM3 (0.42) CHRM3SLC2A1DRD2
SCHEMBL768998 0.79 HTR2A (0.35) HTR2AHTR2CSLC6A4
SCHEMBL768154 0.79 TRPV4 (0.33) SLC2A1TRPV4
SCHEMBL769390 0.78 TRPV4 (0.36) ADRB2CHRM3TRPV4DRD4DRD2
SCHEMBL783895 0.78 SLC2A1 (0.52) ADRB2CHRM3SLC2A1

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 HTR4 571/4885ADRB2 47/4885CHRM3 1/4885

“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.