SCHEMBL14490802

SCHEMBL14490802

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CCN2CCCC1C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.74
HTR3E A5X5Y0 4/20 0.74
HTR3B O95264 4/20 0.74
HTR3D Q70Z44 4/20 0.74
HTR3C Q8WXA8 4/20 0.74
NPSR1 Q6W5P4 1/20 0.74
HTR5A P47898 1/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.55
DRD4 P21917 8/20 0.54
DRD2 P14416 4/20 0.54
DRD3 P35462 4/20 0.54
NR1I2 O75469 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49

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
Hydrochloric Acid SCHEMBL5380359 0.99 HTR3A (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7278968 0.87 MAPK1 (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL17037 0.85 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL678616 0.85 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL4534994 0.85 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5371909 0.84 HTR3A (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5765864 0.84 HTR3A (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5367707 0.84 HTR3A (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5767174 0.83 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL1650356 0.83 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C

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-20070135641-A1 Synthesis PALMER RICHARD M J 2007-06-14 US disclosed
US-20070135641-A1 Synthesis PALMER RICHARD M J 2007-06-14 US disclosed
US-7189852-B2 Preparing renzapride (hydrochloride) on a laboratory or industrial scale by a simplified process of forming the acyl chloride derivative of 2-(methoxy),3-acyamino,5-chlorobenzoic acid by reacting oxalyl or thionyl chloride in a solvent, e.g. dimethylformamide; coupling with 1-diazabicylo(3.3.1)nonane ALIZYME THERAPEUTICS LIMITED (GB) 2007-03-13 US disclosed
US-7189852-B2 Preparing renzapride (hydrochloride) on a laboratory or industrial scale by a simplified process of forming the acyl chloride derivative of 2-(methoxy),3-acyamino,5-chlorobenzoic acid by reacting oxalyl or thionyl chloride in a solvent, e.g. dimethylformamide; coupling with 1-diazabicylo(3.3.1)nonane ALIZYME THERAPEUTICS LIMITED (GB) 2007-03-13 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-20070135641-A1 Synthesis ALKBH5, AZI2, ALKBH1 HTR3A 602/4885HTR3E 953/4885HTR3B 795/4885

“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.