SCHEMBL4600307

SCHEMBL4600307

NC1(C(=O)O)CCN(c2ccc(Oc3ccccc3)cc2)C(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
FFAR1 O14842 8/20 0.38
EPHX2 P34913 1/20 0.35
KMT2A Q03164 2/20 0.35
GRM2 Q14416 4/20 0.34
GRM3 Q14832 2/20 0.34
GRM6 O15303 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL4600775 0.92 FABP5 (0.42) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL4601435 0.91 FABP5 (0.42) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL4601160 0.90 FABP5 (0.39) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL4601923 0.86 FABP5 (0.40) FABP5FABP7EPHX2GRM2
SCHEMBL4600355 0.84 EPHX2 (0.38) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL27596048 0.83 EPHX2 (0.38) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL27596047 0.81 FABP5 (0.39) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL4601214 0.81 FABP5 (0.38) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL2190862 0.76 CASP1 (0.41) FABP5FABP7EPHX2KMT2AGRM2
SCHEMBL28864147 0.73 EPHX2 (0.44) FABP5FABP7EPHX2KMT2ACA1

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
CN-100491396-C Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
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
CN-1451017-A Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2003-10-22 CN disclosed
US-6600015-B2 Treatment or prevention of obesity. HOFFMANN-LA ROCHE INC. 2003-07-29 US 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

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 1678/4885FABP7 537/4885FFAR1 156/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 2387/4885FABP7 795/4885FFAR1 145/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 1678/4885FABP7 537/4885FFAR1 156/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R FABP5 2060/4885FABP7 747/4885FFAR1 404/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 1851/4885FABP7 533/4885FFAR1 145/4885

“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.