SCHEMBL4601341

SCHEMBL4601341

Cc1ccc(C2CCC(N)(C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.45
GRM4 Q14833 4/20 0.40
CYP2C19 P33261 3/20 0.40
GRM2 Q14416 2/20 0.40
GRM3 Q14832 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
LMNA P02545 1/20 0.40
GRM5 P41594 1/20 0.40
MTOR P42345 1/20 0.40
GRM1 Q13255 1/20 0.40
PLCB1 Q9NQ66 1/20 0.40
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL14117545 0.86 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9
SCHEMBL4600699 0.86 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9
SCHEMBL4600001 0.84 AKR1C3 (0.44) ESR2GRM4CYP2C19GRM2GRM3
SCHEMBL14117526 0.84 AKR1C3 (0.44) ESR2GRM4CYP2C19GRM2GRM3
SCHEMBL4600748 0.83 HSD11B1 (0.46) ESR2GRM4CYP2C19GRM2GRM3
SCHEMBL296142 0.83 ALDH1A1 (0.44) ESR2TSHRLMNADRD2RAB9A
SCHEMBL27595976 0.83 ESR2 (0.41) ESR2GRM4CYP2C19GRM2GRM3
SCHEMBL14097855 0.81 ESR2 (0.46) ESR2CYP2C19TSHRLMNADRD4
SCHEMBL27579808 0.81 ESR2 (0.41) ESR2GRM4CYP2C19GRM2GRM3
Bicarbonate SCHEMBL9685782 0.79 CYP2C9 (0.48) ESR2CYP2C19TSHRLMNADRD4

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 ESR2 1159/4885GRM4 90/4885CYP2C19 2087/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R ESR2 1272/4885GRM4 78/4885CYP2C19 1973/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R ESR2 1159/4885GRM4 90/4885CYP2C19 2087/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R ESR2 759/4885GRM4 84/4885CYP2C19 2236/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R ESR2 1169/4885GRM4 90/4885CYP2C19 2006/4885

“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.