SCHEMBL1827276

SCHEMBL1827276

CC(C)N(C(=O)c1ccc(C(=O)O)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MCOLN3 Q8TDD5 2/20 0.56
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
SRD5A2 P31213 5/20 0.51
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL8433248 0.94 SRD5A2 (0.59) HPGDNPSR1MCOLN3TSHRTP53
SCHEMBL458409 0.84 NPSR1 (0.59) HPGDNPSR1MCOLN3TSHRALDH1A1
SCHEMBL12988880 0.83 NPSR1 (0.66) HPGDNPSR1MCOLN3TSHRTP53
SCHEMBL2921303 0.83 HPGD (0.56) HPGDNPSR1MCOLN3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL31125741 0.83 NPSR1 (0.57) HPGDNPSR1MCOLN3TSHRALDH1A1
Hydrochloric Acid SCHEMBL3759428 0.83 NPSR1 (0.57) HPGDNPSR1MCOLN3TSHRALDH1A1
SCHEMBL30268201 0.82 NPSR1 (0.66) HPGDNPSR1MCOLN3TSHRSRD5A2
SCHEMBL2462624 0.81 NPSR1 (0.54) HPGDNPSR1MCOLN3TSHRKMT2A
SCHEMBL8035994 0.81 NPSR1 (0.54) HPGDNPSR1MCOLN3KMT2AALDH1A1
SCHEMBL4102311 0.81 NPSR1 (0.60) HPGDNPSR1MCOLN3KMT2AALDH1A1

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
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
EP-1797098-B1 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS NYCOMED GMBH (DE) 2011-05-04 EP disclosed
US-7838521-B2 3-oxa-10-aza-phenanthrenes NYCOMED GMBH (DE) 2010-11-23 US disclosed
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2009-09-24 US disclosed
US-7589205-B2 phosphodiesterase inhibitor; antiinflammatory agent; 3-thia-10-aza-phenanthrenes and iintermediates 3-(3,4-dialkoxy-phenyl)-tetrahydro-thiopyran-4-one and 3-(3,4-dialkoxy-phenyl)-1,1-dioxo-hexahydro-1-thiopyran-4-ylamine, useful for its preparation NYCOMED GMBH (DE) 2009-09-15 US disclosed
US-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives ATLANA PHARMA AG (DE) 2008-05-01 US disclosed
US-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes ALTANA PHARMA AG (DE) 2007-11-08 US disclosed
EP-1797098-A2 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS Altana Pharma AG (DE) 2007-06-20 EP disclosed
EP-1791847-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES Altana Pharma AG (DE) 2007-06-06 EP disclosed
WO-2006027345-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES ALTANA PHARMA AG (DE) 2006-03-16 WO disclosed
WO-2006027344-A2 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS ALTANA PHARMA AG (DE) 2006-03-16 WO disclosed
EP-1075477-B1 Novel Benzonaphthyridine-N-oxides ALTANA PHARMA AG (DE) 2003-03-12 EP disclosed
US-6306869-B1 N-oxides BYK GULDEN LOMBERG CHEMISCHE FEBRIK GMBH (DE) 2001-10-23 US disclosed
EP-1075477-A1 NOVEL N-OXIDES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-02-14 EP disclosed
WO-1999057118-A1 NOVEL N-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-11-11 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-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives PDE4A, PDE4B, PDE3A HPGD 572/4885NPSR1 1546/4885MCOLN3 4415/4885
US-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes PDE4A, PDE4B, PDE3A HPGD 513/4885NPSR1 1149/4885MCOLN3 4121/4885
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives PDE4A, PDE4B, PDE3A HPGD 572/4885NPSR1 1546/4885MCOLN3 4415/4885

“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.