SCHEMBL345188

SCHEMBL345188

NCCC1CCN(c2ccc(-c3cccc(F)c3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
CNR2 P34972 2/20 0.44
SSTR2 P30874 1/20 0.44
BPTF Q12830 1/20 0.44
WNT3A P56704 1/20 0.44
PTPN11 Q06124 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TDO2 P48775 1/20 0.41
DRD2 P14416 1/20 0.40
AOC3 Q16853 2/20 0.40
DGAT1 O75907 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL345280 0.88 DRD4 (0.46) CNR2PTPN11DRD4DRD3HTR1A
SCHEMBL1711361 0.82 CHRM4 (0.54) KDRWNT3AHDAC3HDAC1HDAC2
SCHEMBL345172 0.75 HTR1A (0.46) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL345663 0.75 CHRM4 (0.42) KDRWNT3AHDAC3HDAC1HDAC2
SCHEMBL345209 0.74 PDE10A (0.49) PTPN11CHRM4
SCHEMBL345939 0.74 KDM1A (0.44) PTPN11DRD4DRD3DRD2AOC3
SCHEMBL1711003 0.73 HTR1A (0.47) BPTFPTPN11DRD4DRD3HTR1A
SCHEMBL2406228 0.73 AOC3 (0.41) KDRWNT3AHDAC3HDAC1HDAC2
SCHEMBL1742215 0.73 TLR9 (0.53) CNR2WNT3AHDAC3HDAC1HDAC2
SCHEMBL345206 0.72 PDE10A (0.53) HDAC3HDAC2HTR1A

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
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
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A KDR 2756/4885CNR2 387/4885SSTR2 338/4885

“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.