SCHEMBL6841270

SCHEMBL6841270

COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC(=O)OCCC(C)C)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.68
DRD4 P21917 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
ADRA2A P08913 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
DRD2 P14416 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
ACHE P22303 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
ADRA1A P35348 1/20 0.63
DRD3 P35462 1/20 0.63
OPRK1 P41145 1/20 0.63
HTR2B P41595 1/20 0.63
CHRNA4 P43681 1/20 0.63
HTR3A P46098 1/20 0.63

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
SCHEMBL6841408 0.97 HTR4 (0.66) HTR4DRD4CYP1A2CYP3A4ADRA2A
SCHEMBL6840589 0.91 HTR4 (0.71) HTR4DRD4CYP1A2CYP3A4ADRA2A
SCHEMBL6843006 0.90 HTR4 (0.75) HTR4DRD4CYP1A2CYP3A4ADRA2A
SCHEMBL29470996 0.88 HTR4 (0.75) HTR4DRD4CYP1A2CYP3A4ADRA2A
SCHEMBL8285631 0.88 HTR4 (0.75) HTR4DRD4CYP1A2CYP3A4ADRA2A
SCHEMBL6841386 0.88 HTR4 (0.68) HTR4DRD4CYP1A2CYP3A4ADRA2A
SCHEMBL6843077 0.88 HTR4 (0.77) HTR4DRD4CYP1A2CYP3A4ADRA2A
SCHEMBL6840598 0.87 HTR4 (0.73) HTR4DRD4CYP1A2CYP3A4ADRA2A
Hydrochloric Acid SCHEMBL6841284 0.87 HTR4 (0.76) HTR4DRD4CYP1A2CYP3A4ADRA2A
SCHEMBL6836059 0.87 HTR4 (0.70) HTR4DRD4CYP1A2CYP3A4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087622-A1 Benzamide derivative and medicament containing the same KATO HIDEO (JP) 2004-05-06 US disclosed
US-6638951-B1 Medicament has excellent enhancing action on gastrointestinal tract motility, and is orally available with reduced side effects, the agent for therapeutic treatment of digestive diseases, an agent for improving function of gastrointestinal HOKURIKU SEIYAKU CO., LTD. (JP) 2003-10-28 US disclosed
EP-1149832-B1 BENZAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU PHARMACEUTICAL (JP) 2003-01-02 EP disclosed
EP-1149832-A1 BENZAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2001-10-31 EP 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-20040087622-A1 Benzamide derivative and medicament containing the same SLC10A2, FABP2, HDAC6 HTR4 598/4885DRD4 1433/4885CYP1A2 1016/4885

“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.