SCHEMBL345280

SCHEMBL345280

NCCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
TDO2 P48775 2/20 0.43
DGAT1 O75907 4/20 0.42
RPS6KB1 P23443 1/20 0.42
PTPN11 Q06124 1/20 0.42
CHRM4 P08173 1/20 0.41
ALK Q9UM73 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCD O00767 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL345188 0.88 KDR (0.45) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL345172 0.87 HTR1A (0.46) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL345939 0.85 KDM1A (0.44) DRD4DRD3RPS6KB1PTPN11HDAC6
SCHEMBL344912 0.81 SCD (0.53) SCDMAPT
SCHEMBL344787 0.80 HRH3 (0.47) DRD4DRD3RPS6KB1CHRM4DRD2
SCHEMBL1711018 0.80 CHRM4 (0.57) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL344119 0.79 FFAR4 (0.48) PTPN11CKS1BSKP1SKP2L3MBTL1
SCHEMBL344431 0.78 ACHE (0.53) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL345209 0.78 PDE10A (0.49) PTPN11CHRM4ROCK2ROCK1CDC42BPB
SCHEMBL1727605 0.77 DGAT1 (0.44) DRD4DRD3HTR1AHTR2ASLC6A4

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 6 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
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
EP-2344486-B1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THEIR USE AS FAAH INHIBITORS SANOFI SA (FR) 2013-03-27 EP disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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 (2 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 DRD4 302/4885DRD3 173/4885HTR1A 1762/4885
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A DRD4 1133/4885DRD3 620/4885HTR1A 3979/4885

“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.