SCHEMBL2409059

SCHEMBL2409059

CNC(=O)COC(=O)NCCCCN1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
DRD3 P35462 3/20 0.56
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
NCOR2 Q9Y618 2/20 0.54
HDAC2 Q92769 1/20 0.54
BCHE P06276 5/20 0.51
HTR2A P28223 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.50
HTR7 P34969 2/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
ACKR3 P25106 1/20 0.48
HTR1A P08908 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL2840972 0.79 DRD3 (0.72) DRD2DRD3HDAC3HDAC1HDAC8
SCHEMBL15830562 0.77 DRD2 (0.63) DRD2DRD3BCHEHTR2ACYP1A2
SCHEMBL2409690 0.77 DRD2 (0.49) DRD2DRD3HTR2ACYP1A2CYP2D6
SCHEMBL13135921 0.76 CYP2D6 (0.63) DRD2DRD3HDAC3HDAC1HDAC8
SCHEMBL30945656 0.76 POLB (0.65) DRD2DRD3HDAC3HDAC1HDAC8
SCHEMBL30945664 0.76 POLB (0.65) DRD2DRD3HDAC3HDAC1HDAC8
SCHEMBL10244533 0.76 POLB (0.65) DRD2DRD3HDAC3HDAC1HDAC8
SCHEMBL15835822 0.76 PRMT5 (0.65) DRD2DRD3BCHEHTR2ACYP1A2
SCHEMBL7237584 0.76 DRD2 (0.62) DRD2DRD3HDAC3HDAC1HDAC8
SCHEMBL14722227 0.76 DRD2 (0.86) DRD2DRD3HDAC3HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
US-7645757-B2 Derivatives of heteroaryl-alkylcarbamates, methods for their preparation and use thereof as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2010-01-12 US disclosed
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 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 (3 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-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 DRD2 898/4885DRD3 727/4885HDAC3 510/4885
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 DRD2 898/4885DRD3 727/4885HDAC3 510/4885
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 DRD2 1932/4885DRD3 1067/4885HDAC3 305/4885

“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.