SCHEMBL2406726

SCHEMBL2406726

O=C(O)NC(Cc1cscn1)C1CCN(c2ccc(-c3ccc(F)cc3)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.39
KCNH2 Q12809 2/20 0.39
CAPN1 P07384 3/20 0.38
SCD O00767 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
DGAT1 O75907 1/20 0.34
ADORA2A P29274 1/20 0.34
TDO2 P48775 1/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
WNT3A P56704 2/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL2431550 0.83 MCHR1 (0.39) MCHR1KCNH2SCDCA12CA1
SCHEMBL2404241 0.75 HTR1A (0.37) MCHR1KCNH2SCDDGAT1ADORA2A
SCHEMBL2406729 0.75 MCHR1 (0.39) MCHR1KCNH2SCDCA12CA1
SCHEMBL2405344 0.71 DGAT1 (0.39) MCHR1KCNH2SCDDGAT1ADORA2A
SCHEMBL14796957 0.70 CKS1B (0.48) MCHR1KCNH2SCDCA12CA1
SCHEMBL2407625 0.70 CHRM4 (0.45) KCNH2SCDDGAT1ADORA2ATDO2
SCHEMBL1729788 0.69 TDO2 (0.53) MCHR1KCNH2SCDCA12CA1
SCHEMBL1729030 0.68 CKS1B (0.55) KCNH2SCDDGAT1ADORA2ATDO2
SCHEMBL8509249 0.68 GRM1 (0.36) MCHR1KCNH2CAPN1SCDDGAT1
SCHEMBL8509251 0.68 GRM1 (0.36) MCHR1KCNH2CAPN1SCDDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US claimed
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 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-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL MCHR1 300/4885KCNH2 1681/4885CAPN1 2580/4885

“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.