SCHEMBL4044050

SCHEMBL4044050

COc1ccc2c(c1)C(=O)CN(S(=O)(=O)c1ccc(C)cc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.57
PKM P14618 6/20 0.57
CD4 P01730 3/20 0.54
AKR1C3 P42330 2/20 0.49
LMNA P02545 3/20 0.49
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
NPC1 O15118 1/20 0.48
PKLR P30613 1/20 0.48
RAB9A P51151 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
POLB P06746 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL1017072 0.92 RYR2 (0.58) RYR2PKMCD4AKR1C3LMNA
SCHEMBL22451560 0.85 RYR2 (0.61) RYR2PKMCD4AKR1C3LMNA
SCHEMBL1016818 0.84 PKM (0.62) RYR2PKMCD4AKR1C3LMNA
SCHEMBL10232038 0.80 CD4 (0.51) PKMCD4AKR1C3POLBKMT2A
SCHEMBL16572402 0.80 MEN1 (0.55) PKMCD4AKR1C3LMNAPOLB
SCHEMBL31287301 0.80 MEN1 (0.55) PKMCD4AKR1C3LMNAPOLB
SCHEMBL14640610 0.79 RYR2 (0.65) RYR2PKMCD4AKR1C3LMNA
SCHEMBL19216401 0.78 TSHR (0.51) RYR2PKMCD4LMNATSHR
SCHEMBL3394766 0.76 ESR2 (0.55) PKMCD4AKR1C3POLBALDH1A1
SCHEMBL16793968 0.76 CD4 (0.47) PKMCD4AKR1C3POLBALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
US-6995269-B2 Guanidinobenzamides CHIRON CORPORATION (US) 2006-02-07 US disclosed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US disclosed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 EP disclosed
EP-1409468-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-04-21 EP disclosed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 US disclosed
US-20030199499-A1 Novel guanidinobenzamides CHIRON CORPORATION 2003-10-23 US disclosed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 US disclosed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO disclosed
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example CHIRON CORPORATION 2002-09-26 US disclosed
WO-2002018327-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2002-03-07 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 (4 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-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 RYR2 1421/4885PKM 2351/4885CD4 881/4885
US-20030199499-A1 Novel guanidinobenzamides GUCY1B2, GPR119, GUCY1B1 RYR2 1446/4885PKM 1805/4885CD4 2003/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 RYR2 1421/4885PKM 2351/4885CD4 881/4885
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example MC4R, MC5R, MC3R RYR2 1892/4885PKM 1963/4885CD4 1596/4885

“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.