SCHEMBL768661

SCHEMBL768661

COc1cc(N)c(Cl)cc1C(=O)N(C)CCCCNC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.54
HTR3A P46098 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
SLC22A1 O15245 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MPO P05164 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD4 P21917 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL768660 0.85 GAA (0.53) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL15651040 0.81 GAA (0.57) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL15651087 0.80 HTR4 (0.56) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL17471503 0.78 HTR4 (0.67) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL380805 0.77 CHRM2 (0.42) HTR3AHTR2CKCNH2RAB9A
SCHEMBL15006201 0.76 HTR4 (0.47) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL7454538 0.75 GAA (0.67) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL9777110 0.74 HTR4 (0.78) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL15650544 0.74 GAA (0.55) HTR4HTR3ACYP1A2CYP2D6HTR3E
SCHEMBL7356591 0.73 GAA (0.63) HTR4HTR3ACYP1A2CYP2D6HTR3E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
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 HTR4 571/4885HTR3A 135/4885CYP1A2 1275/4885

“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.