SCHEMBL5564329

SCHEMBL5564329

O=C(NCCN1CCC(COc2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
FAAH O00519 2/20 0.45
ACHE P22303 2/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6300836 0.87 CARM1 (0.51) CARM1PRMT6NPC1RAB9AGPR119
SCHEMBL5568467 0.86 CARM1 (0.50) HTR2CCARM1PRMT6GPR119
SCHEMBL5569791 0.86 CARM1 (0.50) HTR2CCARM1PRMT6FAAHACHE
SCHEMBL5565616 0.86 CARM1 (0.56) CARM1PRMT6NPC1RAB9AALDH1A1
SCHEMBL5565708 0.85 CARM1 (0.52) CARM1PRMT6DRD4HTR2AGPR119
SCHEMBL5569069 0.84 SIGMAR1 (0.43) HTR2CSIGMAR1FAAHACHEDRD4
SCHEMBL5568492 0.82 CARM1 (0.52) HTR2CCARM1PRMT6DRD4HTR2A
SCHEMBL5567777 0.81 CARM1 (0.48) HTR2CCARM1PRMT6NPC1RAB9A
SCHEMBL5569099 0.81 CARM1 (0.50) HTR2CCARM1PRMT6HTR2AMAPT
SCHEMBL5570341 0.81 CARM1 (0.50) HTR2CCARM1PRMT6FAAHACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266896-B1 Linear or cyclic ureas, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-01-17 EP disclosed
US-6908922-B2 Anticholesterol agents; cardiovascular disorders LES LABORATOIRES SERVIER (FR) 2005-06-21 US disclosed
US-6903103-B2 Linear cyclic ureas LES LABORATORIES SERVIER (FR) 2005-06-07 US disclosed
US-6780868-B2 TREATMENT OF MYOCARDIAL OR PERIPHERAL ISCHAEMIA, CARDIAC INSUFFICIENCY OR PULMONARY ARTERIAL HYPERTENSION LES LABORATOIRES SERVIER (FR) 2004-08-24 US disclosed
US-20030229100-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-11 US disclosed
US-20030225105-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-04 US disclosed
US-20030191132-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-10-09 US disclosed
US-6566364-B2 Isomers, hydrates, solvates and addition salts in treatment of endothelial dysfunction disease such as atherosclerosis, dyslipidaemia; antidiabetic agents; heart transplantation; inhibition of nitrogen monoxide synthase and oxidative stress LES LABORATOIRES SERVIER (FR) 2003-05-20 US disclosed
EP-1266896-A1 Linear ou cyclic ureas, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP disclosed
US-20010009911-A1 New linear or cyclic ureas LES LABORATOIRES SERVIER (FR) 2001-07-26 US disclosed
EP-1113014-A1 Linear or cyclic ureas, a process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-07-04 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 (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-20010009911-A1 New linear or cyclic ureas GUCY1B1, UACA, LIPG HTR2C 1972/4885CARM1 2144/4885PRMT6 1042/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR2C 1585/4885CARM1 2209/4885PRMT6 1136/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR2C 1585/4885CARM1 2209/4885PRMT6 1136/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR2C 1585/4885CARM1 2209/4885PRMT6 1136/4885

“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.