SCHEMBL4601060

SCHEMBL4601060

COc1cccc(N2CCC(N)(C(=O)O)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.58
ADRB1 P08588 1/20 0.52
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
ACHE P22303 1/20 0.48
GFER P55789 2/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD2 P14416 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4601473 0.83 FFAR4 (0.56) FFAR4ADRB1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2555046 0.83 FFAR4 (0.61) FFAR4ADRB1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4433783 0.80 USP2 (0.54) KMT2AALDH1A1SMN1; SMN2CYP1A2USP2
SCHEMBL27742224 0.78 ITGB3 (0.47) FFAR4KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4876690 0.77 SOAT1 (0.54) FFAR4KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4601956 0.77 LTA4H (0.53) KMT2AALDH1A1SMN1; SMN2USP2TSHR
SCHEMBL4319359 0.77 KMT2A (0.63) ADRB1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL11074672 0.77 ADRB1 (0.76) ADRB1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7058493 0.75 KMT2A (0.62) ADRB1KMT2AALDH1A1CYP1A2TSHR
SCHEMBL27382893 0.75 HTR1A (0.66) ADRB1KMT2AALDH1A1CYP1A2TSHR

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 13 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-1315750-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP 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
WO-2002018437-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO 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 FFAR4 27/4885ADRB1 222/4885KMT2A 2807/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FFAR4 22/4885ADRB1 384/4885KMT2A 2532/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FFAR4 27/4885ADRB1 222/4885KMT2A 2807/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R FFAR4 66/4885ADRB1 408/4885KMT2A 3087/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R FFAR4 33/4885ADRB1 212/4885KMT2A 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.