SCHEMBL4601923

SCHEMBL4601923

COc1cccc(N2CCC(N)(C(=O)O)CC2C(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.40
EPHX2 P34913 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FABP7 O15540 2/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTR7 P34969 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
GRM2 Q14416 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4600355 0.90 EPHX2 (0.38) FABP5EPHX2FFAR4FABP7MAPT
SCHEMBL4600775 0.90 FABP5 (0.42) FABP5EPHX2FABP7GRM2
SCHEMBL27596048 0.88 EPHX2 (0.38) FABP5EPHX2FABP7GRM2
SCHEMBL4600307 0.86 FABP5 (0.39) FABP5EPHX2FABP7GRM2
SCHEMBL4601160 0.85 FABP5 (0.39) FABP5EPHX2FABP7ALDH1A1MAPT
SCHEMBL4601435 0.84 FABP5 (0.42) FABP5EPHX2FABP7ALDH1A1MAPT
SCHEMBL4601214 0.80 FABP5 (0.38) FABP5EPHX2FABP7GRM2
SCHEMBL27596047 0.79 FABP5 (0.39) FABP5EPHX2FABP7GRM2
SCHEMBL2190862 0.76 CASP1 (0.41) FABP5EPHX2FABP7GRM2
SCHEMBL4601241 0.73 FABP5 (0.42) FABP5EPHX2FABP7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 US disclosed
EP-1272516-B1 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
EP-1315750-B1 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2007-02-14 EP disclosed
US-7045591-B2 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity HOFFMANN-LA ROCHE INC. (US) 2006-05-16 US disclosed
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity CHEN LI 2005-10-27 US disclosed
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity CHEN LI (US) 2003-12-11 US disclosed
US-6600015-B2 Treatment or prevention of obesity. HOFFMANN-LA ROCHE INC. 2003-07-29 US disclosed
EP-1272516-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-08 EP disclosed
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity CHEN LI (US) 2002-10-03 US disclosed
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity HOFFMANN-LA ROCHE INC. 2001-12-27 US disclosed
WO-2001074844-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2001-10-11 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 (5 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-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity MC4R, MC3R, MC1R FABP5 1678/4885EPHX2 4214/4885FFAR4 27/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 2387/4885EPHX2 3954/4885FFAR4 22/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 1678/4885EPHX2 4214/4885FFAR4 27/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R FABP5 2060/4885EPHX2 4476/4885FFAR4 66/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 1851/4885EPHX2 4351/4885FFAR4 33/4885

“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.