SCHEMBL768358

SCHEMBL768358

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
CHRM2 P08172 1/20 0.37
MCHR1 Q99705 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HTR7 P34969 1/20 0.32
BRD4 O60885 1/20 0.32
SOAT2 O75908 1/20 0.32
SOAT1 P35610 1/20 0.32
SLC2A1 P11166 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR2 P41597 1/20 0.31
ADRB2 P07550 2/20 0.31

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
SCHEMBL769264 0.91 CHRM2 (0.39) HDAC6CHRM2MCHR1CARM1PRMT6
SCHEMBL768889 0.90 CHRM2 (0.39) HDAC6CHRM2MCHR1CARM1PRMT6
SCHEMBL769370 0.88 HDAC6 (0.33) HDAC6CHRM2MCHR1HRH3SLC2A1
SCHEMBL768103 0.87 HRH3 (0.41) CHRM2CARM1PRMT6HRH3HTR7
SCHEMBL768439 0.86 CHRM2 (0.39) HDAC6CHRM2MCHR1HRH3SLC2A1
SCHEMBL768708 0.86 CHRM2 (0.39) HDAC6CHRM2MCHR1CARM1PRMT6
SCHEMBL768524 0.86 HDAC6 (0.35) HDAC6CHRM2MCHR1CARM1PRMT6
SCHEMBL768998 0.85 HTR2A (0.35) CHRM2HRH3HTR7CCR2
SCHEMBL768447 0.85 CHRM2 (0.35) HDAC6CHRM2MCHR1CARM1PRMT6
SCHEMBL768357 0.85 MCHR1 (0.39) HDAC6CHRM2MCHR1BRD4SOAT2

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 HDAC6 407/4885CHRM2 2/4885MCHR1 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.