SCHEMBL5733895

SCHEMBL5733895

COc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
PDE5A O76074 1/20 0.49
MCOLN2 Q8IZK6 1/20 0.48
MCOLN1 Q9GZU1 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
SPTLC2 O15270 5/20 0.48
PDE4B Q07343 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 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
SCHEMBL5733889 1.00 TACR1 (0.51) TACR1PDE5AMCOLN2MCOLN1TAS1R3
SCHEMBL5734799 0.94 TACR1 (0.49) TACR1PDE5AMCOLN2MCOLN1TAS1R3
SCHEMBL5734789 0.94 TACR1 (0.49) TACR1PDE5AMCOLN2MCOLN1TAS1R3
SCHEMBL5733789 0.91 ALDH1A1 (0.52) TACR1TAS1R3TAS1R1PDE4BALDH1A1
SCHEMBL5733787 0.91 ALDH1A1 (0.52) TACR1TAS1R3TAS1R1PDE4BALDH1A1
SCHEMBL5733686 0.91 TACR1 (0.45) TACR1PDE5ATAS1R3TAS1R1SPTLC2
SCHEMBL5733689 0.91 TACR1 (0.45) TACR1PDE5ATAS1R3TAS1R1SPTLC2
SCHEMBL5734110 0.90 TAS1R3 (0.53) TACR1TAS1R3TAS1R1SPTLC2MEN1
SCHEMBL5734102 0.90 TAS1R3 (0.53) TACR1TAS1R3TAS1R1SPTLC2MEN1
SCHEMBL5735667 0.90 GRM5 (0.48) TACR1TAS1R3TAS1R1SPTLC2

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
US-20060189645-A1 Novel 6-phenylphenantridines ALTANA PHARMA AG (DE) 2006-08-24 US disclosed
US-20060189641-A1 Novel 6-phenlyphenanthridines NYCOMED GMBH (DE) 2006-08-24 US disclosed
EP-1658271-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA Pharma AG (DE) 2006-05-24 EP disclosed
EP-1658270-A1 NOVEL 6-PHENYLPHENANTRIDINES ALTANA Pharma AG (DE) 2006-05-24 EP disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
WO-2005012253-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2005-02-10 WO disclosed
WO-2005012252-A1 NOVEL 6-PHENYLPHENANTRIDINES ALTANA PHARMA AG (DE) 2005-02-10 WO disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 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 (2 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-20060189645-A1 Novel 6-phenylphenantridines PDE4B, PDE4A, PDE4D TACR1 878/4885PDE5A 6/4885MCOLN2 4839/4885
US-20060189641-A1 Novel 6-phenlyphenanthridines PDE4A, PDE4B, PDE4C TACR1 1606/4885PDE5A 10/4885MCOLN2 4710/4885

“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.