SCHEMBL885015

SCHEMBL885015

CC(=O)NCCOc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 1.00
MTNR1B P49286 5/20 1.00
L3MBTL1 Q9Y468 1/20 0.90
USP2 O75604 1/20 0.73
ALOX15 P16050 1/20 0.73
TSHR P16473 1/20 0.73
MAPK1 P28482 1/20 0.73
HSD17B10 Q99714 1/20 0.73
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
HPGD P15428 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 2/20 0.64
RECQL P46063 2/20 0.63
POLB P06746 1/20 0.59
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
KDM4E B2RXH2 2/20 0.58

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
SCHEMBL3446802 0.85 MTNR1A (0.73) MTNR1AMTNR1BL3MBTL1RAB9ANPC1
SCHEMBL12188632 0.84 TSHR (1.00) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL171846 0.84 MTNR1A (0.75) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL21595811 0.84 MTNR1A (0.72) MTNR1AMTNR1BL3MBTL1RAB9ANPC1
SCHEMBL698008 0.83 MTNR1A (0.71) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL13411722 0.82 MTNR1A (0.70) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL5113209 0.82 MTNR1A (0.73) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL15300802 0.82 MTNR1A (0.73) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL693211 0.82 MTNR1A (0.70) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL10354336 0.82 MTNR1A (0.73) MTNR1AMTNR1BL3MBTL1USP2ALOX15

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
WO-2005092860-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO claimed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8497380-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2013-07-30 US disclosed
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2013-01-10 US disclosed
US-8324394-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-12-04 US disclosed
US-20120165539-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2012-06-28 US disclosed
US-7488752-B2 nor-seco himbacine derivatives; thrombosis, anticoagulants, anticancer agents; antiinflammatory agents; anticholesterol agents; cardiovascular disorders; antiarrhythmia agents; antiischemic agents; strokes; antiarthritic agents SCHERING CORPORATION (US) 2009-02-10 US disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO disclosed
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-5276192-A Preparation of phenoxyethanamines TEXACO CHEMICAL COMPANY (US) 1994-01-04 US 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-20120165539-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B MTNR1A 1818/4885MTNR1B 1300/4885L3MBTL1 3847/4885
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 MTNR1A 238/4885MTNR1B 339/4885L3MBTL1 1804/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B MTNR1A 1555/4885MTNR1B 1080/4885L3MBTL1 4292/4885
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE3B, PDE5A MTNR1A 1362/4885MTNR1B 1125/4885L3MBTL1 3951/4885

“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.