SCHEMBL2431550

SCHEMBL2431550

O=C(O)NC(Cc1nccs1)C1CCN(c2ccc(-c3ccc(F)cc3)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NAMPT P43490 2/20 0.36
DGAT1 O75907 2/20 0.36
ADORA2A P29274 1/20 0.36
ACACB O00763 2/20 0.35
SCD O00767 1/20 0.35
CMA1 P23946 2/20 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
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

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
SCHEMBL2406726 0.83 MCHR1 (0.39) MCHR1KCNH2DGAT1ADORA2ASCD
SCHEMBL2431551 0.75 MCHR1 (0.39) MCHR1KCNH2HRH3NAMPTDGAT1
SCHEMBL2404039 0.71 DGAT1 (0.41) MCHR1KCNH2HRH3NAMPTDGAT1
SCHEMBL14796957 0.70 CKS1B (0.48) MCHR1KCNH2SCDCA12CA1
SCHEMBL2407245 0.70 CHRM4 (0.45) KCNH2HRH3NAMPTDGAT1ADORA2A
SCHEMBL1729788 0.69 TDO2 (0.53) MCHR1KCNH2DGAT1ADORA2ASCD
SCHEMBL1729030 0.68 CKS1B (0.55) KCNH2DGAT1ADORA2ASCDTDO2
SCHEMBL1711018 0.67 CHRM4 (0.57) DGAT1SCDHTR1ADRD4HTR2A
SCHEMBL14796958 0.66 MCHR1 (0.56) MCHR1KCNH2SCD
SCHEMBL753879 0.65 HTR1A (0.41) MCHR1KCNH2DGAT1ADORA2AACACB

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 1681/4885HRH3 42/4885

“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.