SCHEMBL4440704

SCHEMBL4440704

CCOc1ccccc1OC(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
CNR1 P21554 6/20 0.52
CNR2 P34972 5/20 0.52
CASR P41180 7/20 0.51
EPHX2 P34913 1/20 0.49
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HCRTR1 O43613 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4438711 0.86 L3MBTL1 (0.50) GLAL3MBTL1HCRTR1MEN1KMT2A
SCHEMBL1838515 0.81 HCRTR1 (0.61) GLAL3MBTL1HCRTR1KMT2A
SCHEMBL4435233 0.78 KMT2A (0.62) EPHX2L3MBTL1HCRTR1KMT2A
SCHEMBL15339806 0.75 CES2 (0.52) EPHX2GLAMEN1KMT2A
SCHEMBL9325544 0.75 ALDH1A1 (0.60) GLAL3MBTL1HCRTR1KMT2A
SCHEMBL2725992 0.74 CES2 (0.51) GLAHCRTR1MEN1KMT2A
SCHEMBL11667670 0.73 ALDH1A1 (0.56) GLAL3MBTL1HCRTR1MEN1KMT2A
SCHEMBL4437536 0.73 POLB (0.53) GLAL3MBTL1MEN1KMT2A
SCHEMBL15334134 0.73 NPC1 (0.66) GLAKMT2A
SCHEMBL4436416 0.73 MEN1 (0.53) HCRTR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
WO-2012058115-A2 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES CRAVATT BENJAMIN (US) 2012-05-03 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-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES AADAC, DDAH1, PRSS1 MTNR1A 3983/4885MTNR1B 4217/4885CNR1 2050/4885

“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.