SCHEMBL3402137

SCHEMBL3402137

CCOc1ccc2ccccc2c1-c1ncc(CN2CCN(C3CCCC3)CC2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
MC4R P32245 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
DRD4 P21917 5/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTR1A P08908 1/20 0.37
HTR3A P46098 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RGS12 O14924 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
SCHEMBL3402538 0.98 SIGMAR1 (0.39) SIGMAR1MC4RALDH1A1TP53DRD4
SCHEMBL3401312 0.84 MC4R (0.47) MC4RDRD4DRD2DRD3CYP2D6
SCHEMBL3405212 0.80 SIGMAR1 (0.49) SIGMAR1MC4RALDH1A1TP53DRD4
SCHEMBL3403443 0.78 SIGMAR1 (0.47) SIGMAR1MC4RALDH1A1TP53DRD4
SCHEMBL3400725 0.75 ALDH1A1 (0.43) SIGMAR1ALDH1A1TP53DRD4DRD2
SCHEMBL3399872 0.73 CYP2D6 (0.47) SIGMAR1ALDH1A1TP53DRD4DRD2
SCHEMBL3403856 0.73 DRD4 (0.43) SIGMAR1ALDH1A1TP53DRD4DRD2
SCHEMBL3404406 0.73 SIGMAR1 (0.43) SIGMAR1MC4RALDH1A1TP53DRD4
SCHEMBL3405477 0.72 SIGMAR1 (0.42) SIGMAR1ALDH1A1TP53DRD4DRD2
SCHEMBL3405592 0.71 CYP2D6 (0.47) SIGMAR1ALDH1A1TP53DRD4DRD2

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 SIGMAR1 262/4885MC4R 361/4885ALDH1A1 916/4885

“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.