SCHEMBL768844

SCHEMBL768844

CNCCCN1CCc2cc(NCCCCCC(=O)N(C)CCN3CCC(c4cccc(-c5ccccc5)c4NC(=O)O)CC3)ccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.34
HRH3 Q9Y5N1 12/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
CCR3 P51677 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 7/20 0.32
HTR1A P08908 2/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL769390 0.90 TRPV4 (0.36) HDAC6HRH3HDAC3HDAC1DRD2
SCHEMBL768103 0.85 HRH3 (0.41) HRH3DRD2HTR1A
SCHEMBL768843 0.85 HRH3 (0.34) HRH3HDAC3HDAC1CCR3DRD2
SCHEMBL381136 0.84 CHRM3 (0.48)
SCHEMBL768889 0.83 CHRM2 (0.39) HDAC6HRH3
SCHEMBL769264 0.83 CHRM2 (0.39) HDAC6HRH3DRD2HTR1A
SCHEMBL769370 0.83 HDAC6 (0.33) HDAC6HRH3DRD2DRD4KCNH2
SCHEMBL769117 0.83 MCHR1 (0.36) HRH3DRD2HTR1A
Hydrochloric Acid SCHEMBL768546 0.83 CCR2 (0.42) CCR3DRD2DRD4DRD3HTR1A
SCHEMBL768998 0.83 HTR2A (0.35) HRH3KCNH2HTR1ASLC6A4

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 407/4885HRH3 96/4885HDAC3 202/4885

“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.