SCHEMBL769370

SCHEMBL769370

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
DRD4 P21917 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
SLC6A4 P31645 4/20 0.32
KCNH2 Q12809 2/20 0.31
ADRB2 P07550 2/20 0.31
CHRM3 P20309 2/20 0.31
NPC1 O15118 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
SLC2A1 P11166 2/20 0.31
MCHR1 Q99705 1/20 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
SCHEMBL768998 0.93 HTR2A (0.35) HRH3CHRM2HTR2AHTR2CSLC6A4
SCHEMBL768450 0.92 SLC2A1 (0.36) DRD4CHRM2ADRB2CHRM3SLC2A1
SCHEMBL769264 0.90 CHRM2 (0.39) HDAC6HRH3CHRM2ADRB2CHRM3
SCHEMBL768889 0.89 CHRM2 (0.39) HDAC6HRH3CHRM2ADRB2CHRM3
SCHEMBL768358 0.88 HDAC6 (0.38) HDAC6DRD4HRH3CHRM2ADRB2
SCHEMBL768103 0.87 HRH3 (0.41) HRH3CHRM2CHRM3NPC1HTR1A
SCHEMBL768439 0.86 CHRM2 (0.39) HDAC6HRH3CHRM2ADRB2CHRM3
SCHEMBL768447 0.85 CHRM2 (0.35) HDAC6HRH3CHRM2HTR2AADRB2
SCHEMBL769140 0.85 CHRM2 (0.36) HRH3CHRM2ADRB2CHRM3NPC1
SCHEMBL768927 0.85 DRD2 (0.36) HRH3CHRM2HTR2ANPC1HTR1A

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 407/4885DRD4 1419/4885HRH3 96/4885

“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.