SCHEMBL13030653

SCHEMBL13030653

CC(C)N1CCCN(Cc2cnc(-c3ccccc3F)[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
DRD4 P21917 6/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
HTR1A P08908 1/20 0.42
HTR3A P46098 1/20 0.42
MC4R P32245 4/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
MAOB P27338 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL3401192 0.95 CYP2D6 (0.41) CYP2D6DRD4DRD2DRD3HTR1A
SCHEMBL3403604 0.85 DRD4 (0.42) CYP2D6DRD4DRD2DRD3HTR1A
SCHEMBL3406108 0.85 DRD4 (0.42) CYP2D6DRD4DRD2DRD3HTR1A
SCHEMBL3399467 0.80 DRD4 (0.46) CYP2D6DRD4DRD2DRD3HTR1A
SCHEMBL3405782 0.78 DRD4 (0.46) CYP2D6DRD4DRD2DRD3HTR1A
SCHEMBL7042040 0.74 CYP2D6 (0.47) CYP2D6DRD4DRD2DRD3HTR1A
SCHEMBL3401194 0.73 MC4R (0.31) MC4R
SCHEMBL8184118 0.72 DRD4 (0.49) CYP2D6DRD4DRD2DRD3HTR1A
SCHEMBL13940679 0.69 DRD4 (0.68) CYP2D6DRD4DRD2DRD3HTR1A
SCHEMBL18705094 0.68 TNKS (0.45) DRD4DRD2DRD3KMT2AKDM4E

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-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
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 CYP2D6 2046/4885DRD4 2958/4885DRD2 1283/4885

“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.