SCHEMBL4601496

SCHEMBL4601496

CC(C)Oc1ccc(C2CCC(N)(C(=O)O)C(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
EPHX2 P34913 1/20 0.32
GPR174 Q9BXC1 1/20 0.32
CASP3 P42574 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL4601161 0.90 FABP5 (0.43) FABP5FABP7KMT2AMAPTALDH1A1
SCHEMBL4601669 0.90 FABP5 (0.50) FABP5FABP7KMT2AMAPTEPHX2
SCHEMBL4600841 0.88 FABP5 (0.42) FABP5FABP7KMT2ATP53SMN1; SMN2
SCHEMBL4602627 0.88 FABP5 (0.45) FABP5FABP7KMT2AMAPTEPHX2
SCHEMBL4601703 0.87 FABP5 (0.46) FABP5FABP7KMT2AMAPTEPHX2
SCHEMBL4602339 0.86 FABP5 (0.45) FABP5FABP7KMT2AMAPTEPHX2
SCHEMBL4601241 0.83 FABP5 (0.42) FABP5FABP7EPHX2FFAR1
SCHEMBL17699252 0.79 FABP5 (0.50) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL4601492 0.78 EPHX2 (0.39) FABP5FABP7KMT2ATDP1EPHX2
SCHEMBL14117561 0.78 EPHX2 (0.39) FABP5FABP7KMT2ATDP1EPHX2

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 1678/4885FABP7 537/4885KMT2A 2807/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 2387/4885FABP7 795/4885KMT2A 2532/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 1678/4885FABP7 537/4885KMT2A 2807/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R FABP5 2060/4885FABP7 747/4885KMT2A 3087/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FABP5 1851/4885FABP7 533/4885KMT2A 2937/4885

“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.