SCHEMBL4600677

SCHEMBL4600677

CCc1cccc2c1CCC(N)(C(=O)O)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 2/20 0.33
BLM P54132 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL4599719 0.82 CXCR5 (0.36) TBXA2RALDH1A1KDM4E
SCHEMBL4600670 0.82 RXRA (0.41)
SCHEMBL4599810 0.80 ADRA2A (0.47)
SCHEMBL4601314 0.79 AKR1C3 (0.36) MEN1KMT2A
SCHEMBL4599994 0.79 GRM2 (0.39) GRM2GRM3PNMT
SCHEMBL14123504 0.79 GABRA1 (0.33) GABRA1GABRB2ALDH1A1CYP2C9HTR1A
SCHEMBL4599658 0.79 CYP3A4 (0.36) GABRA1GABRB2ALDH1A1BLMCYP3A4
SCHEMBL4600871 0.79 RXRA (0.36) ALDH1A1TSHRMAPT
SCHEMBL4600421 0.77 IRAK4 (0.39) ALDH1A1KDM4E
SCHEMBL268919 0.75 PARP1 (0.39) ALDH1A1BLMKDM4EMAPTPOLB

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
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-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 GABRA1 410/4885GABRB2 459/4885TBXA2R 364/4885
US-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GABRA1 712/4885GABRB2 630/4885TBXA2R 462/4885
US-20050239711-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GABRA1 410/4885GABRB2 459/4885TBXA2R 364/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R GABRA1 488/4885GABRB2 528/4885TBXA2R 412/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R GABRA1 373/4885GABRB2 459/4885TBXA2R 394/4885

“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.