SCHEMBL3039937

SCHEMBL3039937

CNC(CCNC(C)=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
OPRM1 P35372 1/20 0.50
ANPEP P15144 2/20 0.49
RNPEP Q9H4A4 2/20 0.49
DNPEP Q9ULA0 2/20 0.49
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CTRB1 P17538 4/20 0.45
LAP3 P28838 2/20 0.45
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3055737 1.00 MTNR1A (0.57) MTNR1AMTNR1BOPRM1ANPEPRNPEP
SCHEMBL6692780 0.79 MTNR1A (0.58) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL7428008 0.79 MTNR1A (0.58) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL21302017 0.79 CPA3 (0.57) ANPEP
SCHEMBL11135975 0.79 CPA3 (0.57) ANPEP
SCHEMBL3055749 0.78 EPHX2 (0.62) LMNA
SCHEMBL3056985 0.78 EPHX2 (0.62) LMNA
SCHEMBL2049078 0.77 NPC1 (0.64) OPRM1
Hydrochloric Acid SCHEMBL2012639 0.77 EPHX2 (0.61) LMNAL3MBTL1
SCHEMBL3055735 0.77 MTNR1A (0.55) MTNR1AMTNR1BANPEPRNPEPDNPEP

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 2 patents. 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 claimed
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 533/4885OPRM1 277/4885

“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.