SCHEMBL4601566

SCHEMBL4601566

NC1(OC=O)CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.38
DRD2 P14416 1/20 0.37
HSD11B1 P28845 1/20 0.36
SRD5A1 P18405 1/20 0.36
SLC2A1 P11166 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
SLC18A3 Q16572 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
DEGS1 O15121 1/20 0.35
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL4601344 0.84 ESR2 (0.37) DRD2MAP1LC3BSLC18A3MEN1LMNA
SCHEMBL4993041 0.83 SLC18A3 (0.40) HSD11B1SLC18A3USP2MAPTKDM1A
SCHEMBL4600362 0.81 DRD2 (0.42) DRD2MEN1TP53MAPTHPGD
SCHEMBL4601398 0.78 ALDH1A3 (0.45) MEN1HPGDTSHRKMT2APOLB
SCHEMBL4601082 0.78 S1PR3 (0.40) MEN1MAPTTSHRKMT2A
SCHEMBL6937547 0.74 TRPA1 (0.41) SLC18A3KDM1A
SCHEMBL4600748 0.72 HSD11B1 (0.46) HSD11B1MEN1USP2LMNATP53
SCHEMBL918249 0.71 SLC2A1 (0.41) HTR3ADRD2SRD5A1SLC2A1MAP1LC3B
SCHEMBL4600111 0.71 HTR2C (0.54) DRD2KDM1ARCOR1HTR1AHTR2A
SCHEMBL315186 0.70 HTR3A (0.58) HTR3ADRD2SRD5A1SLC2A1SLC18A3

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 HTR3A 141/4885DRD2 942/4885HSD11B1 2225/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HTR3A 438/4885DRD2 1293/4885HSD11B1 1439/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HTR3A 141/4885DRD2 942/4885HSD11B1 2225/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R HTR3A 173/4885DRD2 850/4885HSD11B1 3515/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HTR3A 138/4885DRD2 1017/4885HSD11B1 2252/4885

“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.