SCHEMBL6474309

SCHEMBL6474309

Cc1noc(C)c1C(=O)Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ALOX15 P16050 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 3/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
MDM2 Q00987 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.44
IDO1 P14902 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL2722644 0.72 L3MBTL1 (0.65) ALDH1A1L3MBTL1RAB9ANPC1GAA
SCHEMBL6710865 0.71 ALDH1A1 (1.00) ALDH1A1ALOX15L3MBTL1RAB9ANPC1
SCHEMBL7981204 0.71 CTNNB1 (0.60) ALDH1A1L3MBTL1RAB9ANPC1TSHR
SCHEMBL28408612 0.71 RAB9A (0.71) ALDH1A1ALOX15L3MBTL1RAB9ANPC1
SCHEMBL22362717 0.70 LMNA (0.63) ALDH1A1ALOX15L3MBTL1RAB9ANPC1
SCHEMBL10412713 0.70 RAB9A (0.60) ALDH1A1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL30454690 0.70 RAB9A (0.60) ALDH1A1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL6011931 0.70 RAB9A (0.75) ALDH1A1ALOX15RAB9ANPC1GAA
SCHEMBL14760273 0.70 RAB9A (0.51) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL2051943 0.70 RAB9A (0.75) ALDH1A1ALOX15RAB9ANPC1GAA

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
US-6897198-B2 Method of treatment with combinations of statin and aryl-substituted propanolamine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH 2005-05-24 US disclosed
EP-1117645-B1 ARYL-SUBSTITUTED PROPANOLAMINE DERIVATIVES, METHODS FOR THEIR PRODUCTION, MEDICAMENTS CONTAINING SAID COMPOUNDS AND THEIR USE AVENTIS PHARMA GMBH (DE) 2004-05-06 EP disclosed
US-20030195145-A1 Methods of treatment with combinations of statin and aryl-substituted propanolamine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH 2003-10-16 US disclosed
US-6569835-B2 Hypolipidemics; treating obesity and disorders of lipid metabolism AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-27 US disclosed
US-6566340-B2 Antilipemic agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-20 US disclosed
US-20020177610-A1 Combinations with statin and aryl-substituted propanolamine derivatives, their preparation, pharmaceuticals comprising them, and their use AVENTIS PHARMA DEUTSCHLAND GMBH 2002-11-28 US disclosed
US-20020042381-A1 Aryl-substituted propanolamine derivatives, their preparation, pharmaceuticals comprising them, and their use HOECHST MARION ROUSSEL DEUTSCHLAND GMBH 2002-04-11 US disclosed
EP-1117645-A1 ARYL-SUBSTITUTED PROPANOLAMINE DERIVATIVES, METHODS FOR THEIR PRODUCTION, MEDICAMENTS CONTAINING SAID COMPOUNDS AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2001-07-25 EP disclosed
US-6245744-B1 ANTILIPEMIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-12 US disclosed
WO-2000020392-A1 ARYL-SUBSTITUTED PROPANOLAMINE DERIVATIVES, METHODS FOR THEIR PRODUCTION, MEDICAMENTS CONTAINING SAID COMPOUNDS AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-04-13 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 (3 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-20020042381-A1 Aryl-substituted propanolamine derivatives, their preparation, pharmaceuticals comprising them, and their use ADRB1, ADRB3, ADRB2 ALDH1A1 93/4885ALOX15 757/4885L3MBTL1 3573/4885
US-20030195145-A1 Methods of treatment with combinations of statin and aryl-substituted propanolamine derivatives CYP11B1, HMGCR, CYP27A1 ALDH1A1 229/4885ALOX15 337/4885L3MBTL1 3554/4885
US-20020177610-A1 Combinations with statin and aryl-substituted propanolamine derivatives, their preparation, pharmaceuticals comprising them, and their use ADRB3, ADRB1, CYP11B1 ALDH1A1 276/4885ALOX15 411/4885L3MBTL1 3898/4885

“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.