SCHEMBL4600867

SCHEMBL4600867

NC1CCC(c2ccc(OC=O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.41
MAOB P27338 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.33
ESR2 Q92731 3/20 0.32
STS P08842 1/20 0.32
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
DRD2 P14416 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
MAOA P21397 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL27955233 0.91 ESR2 (0.38) MRGPRX4ESR2STSSCN5ASCN9A
SCHEMBL27996339 0.82 ESR2 (0.53) MRGPRX4ESR2STSKCNH2SLC6A2
SCHEMBL2161069 0.81 HAO1 (0.44) KCNH2NPC1RAB9APOLB
SCHEMBL19107723 0.79 PARP10 (0.41)
SCHEMBL14451341 0.76 CYP2C9 (0.55) SPHK1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL8598760 0.76 KDM1A (0.55) KDM1AMAOBSPHK1SLC6A2SLC6A4
SCHEMBL17729977 0.76 KDM1A (0.55) KDM1AMAOBSPHK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28414618 0.74 KDM1A (0.56) KDM1AMAOBSPHK1SLC6A2SLC6A4
SCHEMBL18511951 0.73 THRB (0.43) KDM1AMAOBSPHK1MRGPRX4ESR2
SCHEMBL7698322 0.73 KDM1A (0.58) KDM1AMAOBSPHK1SCN5ASCN9A

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 KDM1A 4616/4885MAOB 1736/4885SPHK1 2674/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R KDM1A 4445/4885MAOB 2602/4885SPHK1 2310/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R KDM1A 4616/4885MAOB 1736/4885SPHK1 2674/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R KDM1A 4753/4885MAOB 1435/4885SPHK1 4041/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R KDM1A 4568/4885MAOB 1828/4885SPHK1 2670/4885

“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.