SCHEMBL768660

SCHEMBL768660

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HTR4 Q13639 9/20 0.51
HTR3A P46098 4/20 0.51
CYP2D6 P10635 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SLC22A1 O15245 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2C P18825 1/20 0.50

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
SCHEMBL15651040 0.86 GAA (0.57) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL768661 0.85 HTR4 (0.54) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL15651087 0.85 HTR4 (0.56) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL17471503 0.82 HTR4 (0.67) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL15006201 0.81 HTR4 (0.47) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL7454538 0.80 GAA (0.67) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL15650544 0.79 GAA (0.55) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL7356591 0.77 GAA (0.63) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL14995303 0.77 HTR4 (0.48) GAAHTR4HTR3ACYP2D6CYP3A4
SCHEMBL5925563 0.76 GAA (0.61) GAAHTR4HTR3ACYP2D6CYP3A4

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 GAA 3182/4885HTR4 571/4885HTR3A 135/4885

“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.