SCHEMBL4200613

SCHEMBL4200613

FC(F)Oc1ccc(NCc2cccnc2)cc1OC1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.47
CYP2C19 P33261 9/20 0.47
CYP2C9 P11712 8/20 0.47
CYP2D6 P10635 6/20 0.47
CYP1A2 P05177 5/20 0.47
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
PABPC1 P11940 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL1157364 0.87 L3MBTL1 (0.48) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL1157578 0.86 PDE4A (0.57) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL1157881 0.84 PDE4A (0.51) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL1157276 0.84 PDE4D (0.50) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL3132959 0.82 MAPT (0.59) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL1157470 0.80 PDE4B (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1157634 0.79 PDE4D (0.60) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL1157371 0.79 PDE4A (0.39) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL3126028 0.78 L3MBTL1 (0.56) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL6175830 0.78 PDE4A (0.38) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2

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 disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
US-7205320-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-17 US disclosed
US-20070078139-A1 Phosphodiesterase 4 inhibitors SCHUMACHER RICHARD A 2007-04-05 US disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US disclosed
US-20040230072-A1 Phosphodiesterase 4 inhibitors SCHUMACHER RICHARD A (US) 2004-11-18 US disclosed
US-6699890-B2 N-SUBSTITUTED DIETHER ANILINE AND DIETHER DIPHENYLAMINE DERIVATIVES MEMORY PHARMACEUTICALS CORP. 2004-03-02 US disclosed
EP-1353907-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2003-10-22 EP disclosed
US-20030149052-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-08-07 US disclosed
US-20020151566-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2002-10-17 US disclosed
WO-2002074726-A2 ANILINE DERIVATIVES USEFUL AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-09-26 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 (6 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-20030149052-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3A CYP3A4 58/4885CYP2C19 294/4885CYP2C9 322/4885
US-20020151566-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3A CYP3A4 58/4885CYP2C19 294/4885CYP2C9 322/4885
US-20040230072-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3A CYP3A4 58/4885CYP2C19 294/4885CYP2C9 322/4885
US-20070078139-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B CYP3A4 46/4885CYP2C19 239/4885CYP2C9 301/4885
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A CYP3A4 52/4885CYP2C19 236/4885CYP2C9 279/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A CYP3A4 52/4885CYP2C19 236/4885CYP2C9 279/4885

“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.