SCHEMBL2408804

SCHEMBL2408804

NC(=O)COC(=O)NCCCc1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MTNR1B P49286 7/20 0.39
MTNR1A P48039 6/20 0.39
CYP1A2 P05177 1/20 0.39
CASP1 P29466 1/20 0.38
HTR1A P08908 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
FERMT2 Q96AC1 1/20 0.36

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
SCHEMBL2415094 0.96 LOXL2 (0.40) LOXL2ALDH1A1MTNR1BMTNR1ACYP1A2
SCHEMBL2413241 0.95 HTR1A (0.41) LOXL2ALDH1A1MTNR1BMTNR1ACYP1A2
SCHEMBL12322243 0.81 MTNR1A (0.57) ALDH1A1MTNR1A
SCHEMBL2413193 0.80 KDM4E (0.42) ALDH1A1MTNR1AADORA2AADORA1
SCHEMBL2844641 0.79 CYP1A2 (0.49) LOXL2MTNR1BMTNR1ACYP1A2CASP1
SCHEMBL2410766 0.78 MTNR1A (0.40) ALDH1A1MTNR1ACASP1ADORA2AADORA1
SCHEMBL2410764 0.78 SMN1; SMN2 (0.45) ALDH1A1MTNR1BMTNR1ACYP1A2
SCHEMBL2410167 0.77 RAB9A (0.43) ALDH1A1MTNR1AADORA2AADORA1
SCHEMBL12304975 0.76 NAMPT (0.49) MTNR1BMTNR1ACASP1
SCHEMBL2411121 0.76 RAB9A (0.42) ALDH1A1MTNR1AADORA2AADORA1

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 LOXL2 2051/4885ALDH1A1 802/4885MTNR1B 1070/4885
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 LOXL2 2051/4885ALDH1A1 802/4885MTNR1B 1070/4885
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 LOXL2 1051/4885ALDH1A1 1002/4885MTNR1B 890/4885

“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.