SCHEMBL4040088

SCHEMBL4040088

O=C=NC1CCC(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
GRIN2B Q13224 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NR3C1 P04150 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL7414530 1.00 SLC18A3 (0.44) SLC18A3SIGMAR1ALDH1A1AKR1C3AKR1C1
SCHEMBL28947504 0.85 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AGAAMAPT
SCHEMBL11121831 0.81 ALDH1A1 (0.41) SLC18A3ALDH1A1NPC1RAB9AMAPT
SCHEMBL9351603 0.80 CYP3A4 (0.40) ALDH1A1NPC1RAB9A
SCHEMBL11124385 0.80 MDM2 (0.41) ALDH1A1NR3C1KMT2AKDM4E
Diphenylether SCHEMBL11408650 0.77 LTA4H (0.46) ALDH1A1NPC1RAB9A
SCHEMBL28947506 0.77 ALDH1A1 (0.44) ALDH1A1CYP2D6MAPT
SCHEMBL10945757 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL190417 0.76 SLC18A3 (0.67) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
SCHEMBL41763 0.76

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
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
US-6335324-B1 TREATING ASTHMA OR ALLERGIC RHINITIS BRISTOL-MYERS SQUIBB CO. 2002-01-01 US disclosed
EP-1089973-A4 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
EP-1089973-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-11 EP disclosed
WO-1999067215-A1 AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-29 WO disclosed
EP-0051211-B1 USE OF CARBONIC-ACID/CARBAMIC-ACID ANHYDRIDES AS CO2-CLEAVING BLOWING AGENTS IN THE PRODUCTION OF CELLULAR OR FOAM-LIKE PLASTICS BAYER AG (DE) 1984-12-19 EP disclosed
US-4377644-A RIGID POLYURETHANES HAVING COMPACT SKINS BAYER AKTIENGESELLSCHAFT (DE) 1983-03-22 US disclosed
EP-0051211-A1 Use of carbonic-acid/carbamic-acid anhydrides as CO2-cleaving blowing agents in the production of cellular or foam-like plastics BAYER AG (DE) 1982-05-12 EP 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 SLC18A3 2816/4885SIGMAR1 1404/4885ALDH1A1 1371/4885
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 SLC18A3 1320/4885SIGMAR1 369/4885ALDH1A1 2079/4885

“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.