SCHEMBL4191189

SCHEMBL4191189

COc1ccc(N(Cc2cccnc2)c2ccc(C(=O)O)cc2)cc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 1/20 0.47
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PTAFR P25105 1/20 0.43
QPCT Q16769 1/20 0.43
CYP2C19 P33261 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
SCHEMBL4190635 0.92 GRM2 (0.44) RXRARXRBRXRGALDH1A1NPSR1
SCHEMBL4190538 0.92 ALDH1A1 (0.55) ALDH1A1NPSR1L3MBTL1USP2PDE4A
SCHEMBL3131330 0.91 ALDH1A1 (0.46) ALDH1A1NPSR1L3MBTL1USP2PDE4A
SCHEMBL3121497 0.90 RXRA (0.48) RXRARXRBRXRGPDE4APDE4B
SCHEMBL3125334 0.89 RXRA (0.52) RXRARXRBRXRGALDH1A1PDE4A
SCHEMBL4196704 0.88 PDE4A (0.42) RXRAALDH1A1NPSR1L3MBTL1USP2
SCHEMBL3123134 0.87 ALDH1A1 (0.46) ALDH1A1NPSR1L3MBTL1USP2PDE4A
SCHEMBL4193526 0.87 L3MBTL1 (0.48) ALDH1A1NPSR1L3MBTL1USP2PDE4A
SCHEMBL3133553 0.86 RXRA (0.44) RXRARXRBRXRGPDE4APDE4B
SCHEMBL4188436 0.86 ALDH1A1 (0.47) ALDH1A1NPSR1L3MBTL1USP2PDE4A

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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US claimed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US claimed
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP claimed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US claimed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO claimed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US disclosed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A RXRA 2850/4885RXRB 2825/4885RXRG 3231/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A RXRA 2850/4885RXRB 2825/4885RXRG 3231/4885

“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.