SCHEMBL3415873

SCHEMBL3415873

CCN(CC)CCNC(=O)c1cc(I)c(N)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.74
CYP2D6 P10635 3/20 0.74
DRD3 P35462 3/20 0.74
LMNA P02545 3/20 0.74
CYP1A2 P05177 2/20 0.74
DRD2 P14416 2/20 0.74
HTR2B P41595 2/20 0.74
KCNH2 Q12809 2/20 0.74
ALDH1A1 P00352 2/20 0.74
HTR3E A5X5Y0 1/20 0.74
SLC22A1 O15245 1/20 0.74
HTR3B O95264 1/20 0.74
MPO P05164 1/20 0.74
ADRA2C P18825 1/20 0.74
DRD4 P21917 1/20 0.74
HTR2A P28223 1/20 0.74
HTR2C P28335 1/20 0.74
HTR3A P46098 1/20 0.74
HTR4 Q13639 1/20 0.74
HTR3D Q70Z44 1/20 0.74

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
SCHEMBL3415869 0.87 ADRA2A (0.63) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL17068280 0.86 ADRA2A (0.76) ADRA2ACYP2D6DRD3LMNACYP1A2
Metoclopramide SCHEMBL27855472 0.85 HTR4 (1.00) ADRA2ACYP2D6DRD3LMNACYP1A2
Metoclopramide SCHEMBL18629 0.85 HTR4 (1.00) ADRA2ACYP2D6DRD3LMNACYP1A2
Bromopride SCHEMBL54497 0.85 ADRA2A (1.00) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL2624889 0.85 ADRA2A (0.74) ADRA2ACYP2D6DRD3LMNACYP1A2
Metoclopramide SCHEMBL28222039 0.85 HTR4 (1.00) ADRA2ACYP2D6DRD3LMNACYP1A2
Metoclopramide SCHEMBL10385638 0.84 HTR4 (0.98) ADRA2ACYP2D6DRD3LMNACYP1A2
Metoclopramide SCHEMBL8160010 0.84 HTR4 (0.98) ADRA2ACYP2D6DRD3LMNACYP1A2
Bromopride SCHEMBL8385045 0.84 ADRA2A (0.98) ADRA2ACYP2D6DRD3LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197715-A1 PHARMACEUTICAL COMBINATIONS AND USES THEREOF NOVARTIS AG (CH) 2024-06-20 US disclosed
WO-2024105610-A1 PHARMACEUTICAL COMBINATIONS AND USES THEREOF NOVARTIS AG (CH) 2024-05-23 WO disclosed
US-7850948-B2 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BAYER SCHERING PHARMA AG (DE) 2010-12-14 US disclosed
WO-2010028281-A1 PHARMACEUTICAL COMPOSITION OF A RADIOIODINATED BENZAMIDE DERIVATIVE AND METHODS OF MAKING THE SAME MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
US-20090012090-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2009-01-08 US disclosed
US-7427390-B2 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy SCHERING AG (DE) 2008-09-23 US disclosed
EP-1722827-A2 RADIOHALOGENATED BENZAMIDE DERIVATIVES AND THEIR USE IN TUMOR DIAGNOSIS AND TUMOR THERAPY Schering AG (DE) 2006-11-22 EP disclosed
WO-2005089815-A2 RADIOHALOGENATED BENZAMIDE DERIVATIVES AND THEIR USE IN TUMOR DIAGNOSIS AND TUMOR THERAPY SCHERING AG (DE) 2005-09-29 WO disclosed
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 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 (3 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-20240197715-A1 PHARMACEUTICAL COMBINATIONS AND USES THEREOF WRN, RECQL, BLM ADRA2A 3838/4885CYP2D6 2424/4885DRD3 3952/4885
US-20090012090-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy BRDT, AADAC, IDH2 ADRA2A 908/4885CYP2D6 373/4885DRD3 1221/4885
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BRDT, AADAC, IDH2 ADRA2A 908/4885CYP2D6 373/4885DRD3 1221/4885

“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.