SCHEMBL3915529

SCHEMBL3915529

CN(CCCNC(=O)[C@H](CC1CCCCC1)N(Cc1ccccc1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
HTR2C P28335 3/20 0.42
SLC6A4 P31645 3/20 0.42
MMP2 P08253 11/20 0.41
MMP1 P03956 9/20 0.41
MMP3 P08254 9/20 0.41
REN P00797 1/20 0.41
GPR88 Q9GZN0 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ATM Q13315 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
SCHEMBL14360835 0.82 CTSS (0.55) MMP2MMP1MMP3
SCHEMBL14360791 0.78 METAP2 (0.43) BCHEHTR2CSLC6A4MMP2MMP1
SCHEMBL3913657 0.77 CTSS (0.53) MMP2MMP1MMP3
SCHEMBL23022839 0.75 ATM (0.47) BCHEHTR2CSLC6A4RENATM
SCHEMBL14360790 0.73 TACR2 (0.49) REN
SCHEMBL1020939 0.73 MEN1 (0.51) MMP1MMP3SIGMAR1
SCHEMBL3817673 0.73 JAK2 (0.44) ATM
SCHEMBL23005035 0.73 ATM (0.45) HTR2CSLC6A4RENATM
SCHEMBL7383871 0.73 CACNA1B (0.45) MMP2MMP1MMP3REN
SCHEMBL30259651 0.72 L3MBTL1 (0.43) RENATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007524705-A 2007-08-30 JP claimed
EP-1720829-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP claimed
WO-2005090292-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO claimed
EP-1797065-A4 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
EP-1797065-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029210-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 BCHE 1745/4885HTR2C 198/4885SLC6A4 59/4885

“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.