SCHEMBL4993041

SCHEMBL4993041

NC1(OC=O)CCC(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPA1 O75762 1/20 0.36
KDM1A O60341 4/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
GAA P10253 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
HSD11B1 P28845 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 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
SCHEMBL6937547 0.90 TRPA1 (0.41) SLC18A3SIGMAR1TRPA1KDM1AMAOA
SCHEMBL4601566 0.83 HTR3A (0.38) SLC18A3MAPTALDH1A1KDM1AHSD11B1
SCHEMBL4601344 0.83 ESR2 (0.37) SLC18A3MAPTALDH1A1
SCHEMBL4600362 0.81 DRD2 (0.42) MAPTALDH1A1KDM1AMAOAMAOB
SCHEMBL4600111 0.79 HTR2C (0.54) KDM1A
SCHEMBL4601082 0.77 S1PR3 (0.40) MAPTMAOAMAOB
SCHEMBL4601398 0.77 ALDH1A3 (0.45) GAAPOLB
SCHEMBL11358207 0.72 TRPA1 (0.49) SLC18A3SIGMAR1TRPA1KDM1AMAOA
SCHEMBL19359179 0.72 KDM1A (0.54) SLC18A3SIGMAR1TRPA1KDM1AMAOA
SCHEMBL4600001 0.71 AKR1C3 (0.44) SLC18A3SIGMAR1TRPA1AKR1C3AKR1C1

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 10 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-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
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 SLC18A3 959/4885SIGMAR1 1095/4885MAPT 3165/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R SLC18A3 1805/4885SIGMAR1 1467/4885MAPT 4043/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R SLC18A3 959/4885SIGMAR1 1095/4885MAPT 3165/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R SLC18A3 1208/4885SIGMAR1 1051/4885MAPT 3560/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R SLC18A3 1048/4885SIGMAR1 949/4885MAPT 3168/4885

“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.