SCHEMBL787151

SCHEMBL787151

CNCCCN(C)C(=O)c1ccc(CN(CCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)CC(C)(C)C)s1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SLC2A1 P11166 2/20 0.30
CHRM2 P08172 1/20 0.30
ACKR3 P25106 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
MCHR1 Q99705 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
SCHEMBL768154 0.91 TRPV4 (0.33) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL787150 0.86 ACHE (0.33) HDAC3HDAC1HDAC2HDAC8SLC2A1
SCHEMBL380826 0.85 CHRM2 (0.47) SLC2A1CHRM2
SCHEMBL768103 0.83 HRH3 (0.41) HRH3SLC2A1CHRM2CARM1PRMT6
SCHEMBL768708 0.81 CHRM2 (0.39) HRH3SLC2A1CHRM2CARM1PRMT6
SCHEMBL768889 0.79 CHRM2 (0.39) HRH3SLC2A1CHRM2CARM1PRMT6
SCHEMBL769264 0.79 CHRM2 (0.39) HRH3SLC2A1CHRM2CARM1PRMT6
SCHEMBL768533 0.79 HRH3 (0.41) HRH3SLC2A1CHRM2
SCHEMBL767767 0.79 HRH3 (0.41) HRH3SLC2A1CHRM2
SCHEMBL768998 0.79 HTR2A (0.35) HRH3CHRM2

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 HDAC3 202/4885HDAC1 414/4885HDAC2 326/4885

“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.