SCHEMBL4602369

SCHEMBL4602369

NC1(C(=O)O)CCC(C2CCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.48
GRM2 Q14416 5/20 0.48
GRM3 Q14832 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
GRM8 O00222 2/20 0.48
GRM6 O15303 2/20 0.48
LMNA P02545 1/20 0.48
GRM5 P41594 1/20 0.48
MTOR P42345 1/20 0.48
GRM1 Q13255 1/20 0.48
PLCB1 Q9NQ66 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL27659968 0.88 GRM4 (0.55) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL524796 0.77 ALDH1A1 (0.38) GRM2CYP2C19LMNAALDH1A1CYP2D6
SCHEMBL59793 0.76 NSD2 (0.48) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL21423145 0.76 NSD2 (0.48) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL8981098 0.76 NSD2 (0.48) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL62221 0.76 NSD2 (0.48) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL744894 0.76 NSD2 (0.48) GRM4GRM2GRM3CYP1A2CYP2C19
Cycloleucine SCHEMBL1704308 0.76 NSD2 (0.48) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL15095885 0.76 NSD2 (0.48) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL60473 0.76 NSD2 (0.48) GRM4GRM2GRM3CYP1A2CYP2C19

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 15 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-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 GRM4 90/4885GRM2 556/4885GRM3 216/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GRM4 78/4885GRM2 730/4885GRM3 314/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GRM4 90/4885GRM2 556/4885GRM3 216/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R GRM4 84/4885GRM2 653/4885GRM3 241/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GRM4 90/4885GRM2 525/4885GRM3 203/4885

“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.