SCHEMBL3559808

SCHEMBL3559808

CC(C)C(N)C(=O)NCC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MMP2 P08253 3/20 0.39
LAP3 P28838 3/20 0.37
ANPEP P15144 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL3562176 0.91 CTRB1 (0.43) MTNR1AMTNR1BMMP2LAP3ANPEP
SCHEMBL3569459 0.91 CTRB1 (0.43) MTNR1AMTNR1BMMP2LAP3ANPEP
SCHEMBL1011206 0.83 MTNR1A (0.60) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL3559900 0.80 MTNR1A (0.43) MTNR1AMTNR1BMMP2KDM4EMEN1
SCHEMBL3559731 0.79 MTNR1A (0.42) MTNR1AMTNR1BMMP2NPC1RAB9A
SCHEMBL4991230 0.75 L3MBTL1 (0.50) MTNR1AMTNR1BNPC1RAB9AMEN1
SCHEMBL3563505 0.74 MIF (0.43) MTNR1AMTNR1BPKMCYP2C19
SCHEMBL15547346 0.74 MTNR1A (0.43) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL1430902 0.74 MIF (0.56) MTNR1AMTNR1BPKMKMT2A
SCHEMBL5884516 0.74 MTNR1A (0.41) MTNR1AMTNR1BNPC1RAB9AKDM4E

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 MTNR1A 130/4885MTNR1B 158/4885MMP2 1455/4885

“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.