SCHEMBL4039458

SCHEMBL4039458

CCC1CCCC/C1=N\O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL4039461 1.00 NOS3 (0.37) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL9860940 1.00 NOS3 (0.37) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL9740100 0.94
SCHEMBL9740105 0.94
SCHEMBL31621900 0.84 NOS1 (0.37) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL11154190 0.81 NOS1 (0.40) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL11154919 0.81 NOS1 (0.40) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL27452592 0.80 NOS1 (0.41) NOS1NOS2ALDH1A1KDM4ENPC1
SCHEMBL28122037 0.80 SMN1; SMN2 (0.43) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL6922607 0.79 KMT2A (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2CYP2D6

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
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
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-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
EP-0705308-A1 ELECTROPHORETIC ENAMEL AND PROCESS FOR LACQUERING ELECTROCONDUCTIVE SUBSTRATES BASF Lacke + Farben AG (DE) 1996-04-10 EP disclosed
WO-1995000593-A2 ELECTROPHORETIC ENAMEL AND PROCESS FOR LACQUERING ELECTROCONDUCTIVE SUBSTRATES BASF LACKE + FARBEN AG (DE) 1995-01-05 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 (2 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-20030199499-A1 Novel guanidinobenzamides GUCY1B2, GPR119, GUCY1B1 NOS3 1173/4885NOS1 569/4885NOS2 335/4885
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 NOS3 3149/4885NOS1 3123/4885NOS2 2681/4885

“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.