SCHEMBL4433783

SCHEMBL4433783

NC1(C(=O)O)CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 8/20 0.54
CYP2C19 P33261 7/20 0.50
MAPK1 P28482 5/20 0.50
CYP3A4 P08684 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 7/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 6/20 0.48
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 5/20 0.47
PTPRA P18433 1/20 0.47
HPGD P15428 2/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL14220651 0.87 ME3 (0.47) USP2CYP2C19MAPK1KMT2AALDH1A1
SCHEMBL4601956 0.86 LTA4H (0.53) USP2CYP2C19MAPK1CYP3A4MEN1
SCHEMBL4600696 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL4600221 0.84 AKR1C3 (0.46) USP2CYP2C19MAPK1CYP3A4MEN1
SCHEMBL4601473 0.82 FFAR4 (0.56) USP2CYP2C19MAPK1CYP3A4MEN1
SCHEMBL27578112 0.82 ITGB3 (0.44) USP2CYP2C19MAPK1CYP3A4ALDH1A1
SCHEMBL21083725 0.82 CYP3A4 (0.58) USP2CYP2C19MAPK1CYP3A4MEN1
SCHEMBL4601060 0.80 FFAR4 (0.58) USP2CYP2C19MAPK1CYP3A4MEN1
SCHEMBL27742224 0.80 ITGB3 (0.47) USP2CYP2C19MAPK1CYP3A4MEN1
SCHEMBL9432297 0.79 USP2 (0.56) USP2CYP2C19MAPK1CYP3A4MEN1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968995-A1 METHODS FOR THE SYNTHESIS OF ARGININE-CONTAINING PEPTIDES F. Hoffmann-la Roche AG (CH) 2008-09-17 EP claimed
US-20070179279-A1 Methods for the synthesis of arginine-containing peptides ROCHE COLORADO CORPORATION 2007-08-02 US claimed
WO-2007077112-A1 METHODS FOR THE SYNTHESIS OF ARGININE-CONTAINING PEPTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 WO claimed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 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 (8 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-20020143141-A1 Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R USP2 3661/4885CYP2C19 1973/4885MAPK1 2422/4885
US-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 USP2 3350/4885CYP2C19 628/4885MAPK1 1282/4885
US-20030229200-A1 Selective linear peptides with melanocor tin-4 receptor (MC4-R) agonist activity MC4R, MC1R, MC3R USP2 4770/4885CYP2C19 2236/4885MAPK1 1092/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 USP2 3350/4885CYP2C19 628/4885MAPK1 1282/4885
US-20070179279-A1 Methods for the synthesis of arginine-containing peptides ARGLU1, PNISR, PRMT3 USP2 1701/4885CYP2C19 4582/4885MAPK1 3692/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 USP2 3350/4885CYP2C19 628/4885MAPK1 1282/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R USP2 4586/4885CYP2C19 2006/4885MAPK1 760/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 USP2 3350/4885CYP2C19 628/4885MAPK1 1282/4885

“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.