SCHEMBL6587769

SCHEMBL6587769

CCN(CC)C(=O)c1ccc(OC)c(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HPGD P15428 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP1A2 P05177 1/20 0.59
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
BLM P54132 1/20 0.59
APP P05067 2/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LTB4R Q15722 1/20 0.56
LTB4R2 Q9NPC1 1/20 0.56
RXRA P19793 1/20 0.56

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
SCHEMBL8292210 0.88 CYP1A2 (0.56) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL17261410 0.84 SMPD1 (0.61) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL29375753 0.84 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL1029034 0.84 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL13216464 0.83 HSP90AA1 (0.77) HPGDCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8843713 0.83 SMN1; SMN2 (0.90) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL8406613 0.82 HPGD (0.56) HPGDNPC1RAB9ASMN1; SMN2HSP90AA1
SCHEMBL4270566 0.82 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6HPGD
Hydrochloric Acid SCHEMBL6586504 0.82 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL9236564 0.82 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6HPGD

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
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
US-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors ZAMBON GROUP S.P.A 2004-03-04 US disclosed
EP-1042300-B1 PHTHALAZINE DERIVATIVES USEFUL AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-02-11 EP disclosed
US-6589951-B1 N right-arrowO derivatives and pharmaceutically acceptable salt thereof are PDE 4 and TNF pharmaceutically acceptable salt thereof are PDE 4 and TNF alpha inhibitors. ZAMBON GROUP S.P.A. (IT) 2003-07-08 US disclosed
US-6498160-B2 FOR THERAPY OF EMPHYSEMA, CHRONIC BRONCHITIS, ASTHMA AND ALLERGIC RHINITIS ZAMBON GROUP S.P.A. (IT) 2002-12-24 US disclosed
US-6492360-B1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-12-10 US disclosed
US-20020058662-A1 Phthalazine derivatives as phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-05-16 US disclosed
US-6340684-B1 TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ASTHMA, ALLERGIC RHINITIS ZAMBON GROUP S.P.A. (IT) 2002-01-22 US disclosed
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed
EP-1098886-A1 PHTHALAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-16 EP disclosed
EP-1097142-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-09 EP disclosed
EP-1042300-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-10-11 EP disclosed
WO-2000005218-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed
WO-2000005219-A1 PHTHALAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed
WO-1999032456-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 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-20020058662-A1 Phthalazine derivatives as phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SMPD1 36/4885HDAC1 45/4885HDAC8 79/4885
US-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors PDE5A, PDE3B, PDE3A SMPD1 456/4885HDAC1 105/4885HDAC8 690/4885

“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.