SCHEMBL3055735

SCHEMBL3055735

CC(=O)NCC[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
ANPEP P15144 2/20 0.51
RNPEP Q9H4A4 2/20 0.51
DNPEP Q9ULA0 2/20 0.51
CYP1A2 P05177 1/20 0.47
LAP3 P28838 3/20 0.47
EPHX1 P07099 1/20 0.45
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
CTRB1 P17538 2/20 0.44

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
SCHEMBL3039933 1.00 MTNR1A (0.55) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL7277645 0.85 MTNR1A (0.55) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL7428008 0.81 MTNR1A (0.58) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL6692780 0.81 MTNR1A (0.58) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL3662060 0.79 CYP1A2 (0.55) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL2846532 0.79 CYP1A2 (0.55) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL5052372 0.78 CYP1A2 (0.68) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL3056982 0.77 EPHX2 (0.62)
SCHEMBL3055746 0.77 EPHX2 (0.62)
SCHEMBL3044591 0.77 CYP1A2 (0.57) ANPEPCYP1A2EPHX1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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 (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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 MTNR1A 1024/4885MTNR1B 533/4885ANPEP 2675/4885

“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.