SCHEMBL787150

SCHEMBL787150

CNCCCN(C)C(=O)c1ccc(CN(CCCCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)CC(C)(C)C)s1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
MCHR1 Q99705 1/20 0.33
BCHE P06276 1/20 0.33
SLC2A1 P11166 2/20 0.32
CHRM2 P08172 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CCR5 P51681 1/20 0.30
TACR1 P25103 1/20 0.30
TACR3 P29371 1/20 0.30
OPRM1 P35372 1/20 0.30
ACKR3 P25106 1/20 0.30

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
SCHEMBL768153 0.90 ACHE (0.33) ACHEMCHR1BCHESLC2A1CHRM2
SCHEMBL380826 0.86 CHRM2 (0.47) SLC2A1CHRM2
SCHEMBL787151 0.86 HDAC3 (0.31) ACHEMCHR1BCHESLC2A1CHRM2
SCHEMBL768102 0.82 OPRM1 (0.41) MCHR1SLC2A1OPRM1
SCHEMBL768707 0.80 MCHR1 (0.44) MCHR1SLC2A1CHRM2OPRM1
SCHEMBL783861 0.79 CHRM3 (0.51) SLC2A1CHRM2
SCHEMBL768888 0.78 MCHR1 (0.44) ACHEMCHR1SLC2A1CHRM2OPRM1
SCHEMBL769263 0.78 MCHR1 (0.44) ACHEMCHR1SLC2A1CHRM2CCR5
SCHEMBL768997 0.78 AVPR2 (0.35) MCHR1SLC2A1CHRM2CCR5OPRM1
SCHEMBL380566 0.77 CHRM2 (0.46) SLC2A1CHRM2

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 ACHE 687/4885MCHR1 239/4885BCHE 1317/4885

“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.