SCHEMBL2726416

SCHEMBL2726416

O=C(O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.72
MTNR1B P49286 1/20 0.72
CNR1 P21554 10/20 0.70
CNR2 P34972 7/20 0.70
EPHX2 P34913 4/20 0.70
CASR P41180 3/20 0.62

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
SCHEMBL3172518 0.89 MTNR1A (0.59) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL31505725 0.88 HTR2A (0.58) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL4219824 0.84 MTNR1A (1.00) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL5841117 0.84 MTNR1A (0.68) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL3642993 0.84 MTNR1A (0.68) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL3510106 0.84 MTNR1A (0.53) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL1426449 0.82 MTNR1A (0.56) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL3505478 0.82 MTNR1A (0.51) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL2427167 0.82 CNR1 (0.70) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL5948102 0.82 EPHX2 (1.00) MTNR1AMTNR1BCNR1CNR2EPHX2

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-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
EP-2632912-A2 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES The Scripps Research Institute (US) 2013-09-04 EP 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.