SCHEMBL4601909

SCHEMBL4601909

CC(C)(C)C1CCC(N)(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 4/20 0.47
GRM2 Q14416 3/20 0.47
GRM3 Q14832 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALOX15 P16050 2/20 0.47
GRM8 O00222 2/20 0.47
GRM6 O15303 2/20 0.47
LMNA P02545 2/20 0.47
GRM5 P41594 1/20 0.47
MTOR P42345 1/20 0.47
GRM1 Q13255 1/20 0.47
PLCB1 Q9NQ66 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4601083 1.00 GRM4 (0.47) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL1151608 0.88 GRM4 (0.53) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL5049246 0.79 GRM4 (0.47) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL2657478 0.78 EPHX1 (0.37) CYP1A2CYP2C19TDP1LMNAMTOR
Hydrochloric Acid SCHEMBL2351634 0.78 GRM4 (0.46) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL1837143 0.77 FFAR3 (0.54) CYP1A2CYP2C19TDP1LMNAMTOR
SCHEMBL28858882 0.77 EPHX1 (0.36) CYP1A2CYP2C19TDP1LMNAMTOR
SCHEMBL14372097 0.76 GRM4 (0.52) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL8179890 0.76 GRM4 (0.52) GRM4CYP1A2CYP2C19GRM2GRM3
SCHEMBL2906281 0.76 GRM4 (0.52) GRM4CYP1A2CYP2C19GRM2GRM3

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 14 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
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 US 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-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 GRM4 90/4885CYP1A2 4289/4885CYP2C19 2087/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GRM4 78/4885CYP1A2 4609/4885CYP2C19 1973/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GRM4 90/4885CYP1A2 4289/4885CYP2C19 2087/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R GRM4 84/4885CYP1A2 4485/4885CYP2C19 2236/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GRM4 90/4885CYP1A2 4285/4885CYP2C19 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.