SCHEMBL768843

SCHEMBL768843

CNCCCN1CCc2cc(NCCCCCC(=O)N(C)CCN3CCC(N(C(=O)O)c4ccccc4-c4ccccc4)CC3)ccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CCR3 P51677 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 7/20 0.33
ACHE P22303 1/20 0.33
HTR1A P08908 2/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
GRM5 P41594 1/20 0.32
OPRM1 P35372 1/20 0.32
TMEM97 Q5BJF2 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
SCHEMBL769389 0.90 GPR119 (0.36) HRH3DRD2DRD4DRD3CCR2
SCHEMBL381136 0.85 CHRM3 (0.48)
SCHEMBL768844 0.85 HDAC6 (0.34) HRH3DRD2DRD4DRD3CCR3
SCHEMBL768102 0.85 OPRM1 (0.41) OPRM1
SCHEMBL769263 0.83 MCHR1 (0.44) DRD2ACHEOPRM1
SCHEMBL768888 0.83 MCHR1 (0.44) DRD2ACHEOPRM1
SCHEMBL768997 0.82 AVPR2 (0.35) KCNH2SLC6A4OPRM1
SCHEMBL769369 0.82 MCHR1 (0.35) DRD2OPRM1
SCHEMBL769116 0.82 MCHR1 (0.34) DRD2DRD3OPRM1TMEM97
Hydrochloric Acid SCHEMBL768545 0.81 CHRM4 (0.41) DRD2DRD4DRD3CCR3CCR2

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 HRH3 96/4885DRD2 294/4885DRD4 1419/4885

“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.