SCHEMBL5564028

SCHEMBL5564028

COc1ccc2c(c1)CCN2C(=O)NCCN1CCC(COc2ccc(SC)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
POLB P06746 1/20 0.38
CCR3 P51677 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5565708 0.91 CARM1 (0.52) NOTUMMAPTLMNAGPR119PKM
SCHEMBL5564108 0.89 CARM1 (0.47) MAPTLMNAKMT2AMEN1PKM
SCHEMBL5568492 0.80 CARM1 (0.52) CARM1PRMT6HTR2AHTR2CPOLB
SCHEMBL6300836 0.80 CARM1 (0.51) MAPTLMNAGPR119CARM1PRMT6
SCHEMBL5568467 0.79 CARM1 (0.50) NOTUMLMNAGPR119CARM1PRMT6
SCHEMBL5569791 0.79 CARM1 (0.50) NOTUMLMNACARM1PRMT6HTR2A
SCHEMBL5565616 0.78 CARM1 (0.56) MAPTLMNAPKMCARM1PRMT6
SCHEMBL5563416 0.78 GPR119 (0.49) MAPTLMNAGPR119MEN1PKM
SCHEMBL5563471 0.77 MAPT (0.48) MAPTLMNAKMT2AMEN1PKM
SCHEMBL5564329 0.76 HTR2C (0.47) MAPTGPR119CARM1PRMT6HTR2A

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 NOTUM 3598/4885MAPT 2411/4885LMNA 926/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 NOTUM 3820/4885MAPT 2801/4885LMNA 866/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 NOTUM 3820/4885MAPT 2801/4885LMNA 866/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 NOTUM 3820/4885MAPT 2801/4885LMNA 866/4885

“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.