SCHEMBL2408009

SCHEMBL2408009

O=C(O)N(CCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1)Cc1nc(C(F)(F)F)cs1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
PDE10A Q9Y233 2/20 0.41
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
KHK P50053 1/20 0.35
DGAT1 O75907 2/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 6/20 0.34
HTR1A P08908 1/20 0.34
TPH1 P17752 1/20 0.34
F10 P00742 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
SCHEMBL2406996 0.88 HRH3 (0.41) HRH3PDE10AHTR3AHRH4DGAT1
SCHEMBL2406077 0.85 PDE10A (0.45) HRH3PDE10AHTR3AHRH4DGAT1
SCHEMBL2407749 0.82 HRH3 (0.42) HRH3PDE10AHTR3AHRH4DGAT1
SCHEMBL2406511 0.81 PDE10A (0.43) HRH3PDE10AHTR3AHRH4DGAT1
SCHEMBL2407608 0.81 HRH3 (0.43) HRH3PDE10AHTR3AHRH4DGAT1
SCHEMBL1727924 0.80 HRH3 (0.48) HRH3PDE10AHTR3AHRH4DGAT1
SCHEMBL2408011 0.79 HRH3 (0.41) HRH3PDE10AHTR3AHRH4MCHR1
SCHEMBL1729306 0.77 HRH3 (0.46) HRH3PDE10AHTR3AHRH4DGAT1
SCHEMBL2411578 0.77 PDE10A (0.39) HRH3PDE10AHTR3AHRH4
SCHEMBL2406343 0.77 PDE10A (0.41) HRH3PDE10AHTR3AHRH4DGAT1

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 2 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 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 HRH3 42/4885PDE10A 2001/4885HTR3A 1159/4885

“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.