SCHEMBL4600748

SCHEMBL4600748

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.46
DEGS1 O15121 1/20 0.44
MAPK1 P28482 1/20 0.42
ESR2 Q92731 4/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4600699 0.86 ESR2 (0.56) DEGS1ESR2CYP2C9ESR1
SCHEMBL14117545 0.86 ESR2 (0.56) DEGS1ESR2CYP2C9ESR1
SCHEMBL14117526 0.84 AKR1C3 (0.44) HSD11B1DEGS1ESR2LMNACYP1A2
SCHEMBL4600001 0.84 AKR1C3 (0.44) HSD11B1DEGS1ESR2LMNACYP1A2
SCHEMBL4601341 0.83 ESR2 (0.45) ESR2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL27595976 0.83 ESR2 (0.41) HSD11B1MAPK1ESR2ALDH1A1LMNA
SCHEMBL27579808 0.81 ESR2 (0.41) ESR2SMN1; SMN2LMNACYP1A2TSHR
SCHEMBL296142 0.80 ALDH1A1 (0.44) HSD11B1ESR2ALDH1A1SMN1; SMN2HSD17B10
Carbamic Acid SCHEMBL1569088 0.78 IDO1 (0.49) HSD11B1DEGS1ALDH1A1POLBALOX12
Bicarbonate SCHEMBL1719769 0.78 IDO1 (0.51) HSD11B1DEGS1ALDH1A1POLBALOX12

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
CN-100491396-C Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2009-05-27 CN 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
CN-1451017-A Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2003-10-22 CN 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 HSD11B1 2225/4885DEGS1 3791/4885MAPK1 913/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HSD11B1 1439/4885DEGS1 3185/4885MAPK1 2422/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HSD11B1 2225/4885DEGS1 3791/4885MAPK1 913/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R HSD11B1 3515/4885DEGS1 4530/4885MAPK1 1092/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HSD11B1 2252/4885DEGS1 3591/4885MAPK1 760/4885

“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.