SCHEMBL3403604

SCHEMBL3403604

COc1ccccc1-c1ncc(CN2CCCN(C(C)C)CC2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.42
DRD2 P14416 7/20 0.42
DRD3 P35462 6/20 0.42
HTR1A P08908 1/20 0.41
HTR3A P46098 1/20 0.41
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.39
MC4R P32245 1/20 0.39
HTR7 P34969 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL13030653 0.85 CYP2D6 (0.45) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3406108 0.83 DRD4 (0.42) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3401192 0.81 CYP2D6 (0.41) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3399467 0.78 DRD4 (0.46) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL8834600 0.77 DRD4 (0.47) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL3405782 0.76 DRD4 (0.46) DRD4DRD2DRD3HTR1AHTR3A
Hydrochloric Acid SCHEMBL7034966 0.76 DRD4 (0.46) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL14507263 0.73 KDM4E (0.58) DRD4DRD2DRD3HTR7HRH2
SCHEMBL3401312 0.71 MC4R (0.47) DRD4DRD2DRD3HTR1AHTR3A
SCHEMBL14507261 0.70 DRD4 (0.67) DRD4DRD2DRD3HTR1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 DRD4 2958/4885DRD2 1283/4885DRD3 1819/4885

“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.