SCHEMBL4013632

SCHEMBL4013632

[CH2]C(=O)Nc1ccc(C(=O)OCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
RAB9A P51151 8/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
NPC1 O15118 5/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
GAA P10253 4/20 0.65
MAPT P10636 2/20 0.65
CASP3 P42574 1/20 0.65
TRPV1 Q8NER1 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
TP53 P04637 1/20 0.65
POLB P06746 1/20 0.65
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 1/20 0.63
HPGD P15428 2/20 0.59
RECQL P46063 1/20 0.59
MAPK1 P28482 1/20 0.58

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
SCHEMBL9422337 0.86 SMN1; SMN2 (0.73) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5879030 0.84 RAB9A (0.88) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10941324 0.84 NAMPT (0.69) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL4289783 0.84 HPGD (0.71) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10943445 0.84 RAB9A (0.88) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9877349 0.83 TSHR (0.67) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9671985 0.83 TSHR (0.77) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL8633952 0.83 SMN1; SMN2 (0.68) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL4952046 0.82 TSHR (0.61) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL784330 0.82 TSHR (0.61) TSHRRAB9ASMN1; SMN2NPC1MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953853-B2 Phospholipase inhbitors; antiinflammatory agents; respiratory system disorders ALTANA PHARMA AG (DE) 2005-10-11 US claimed
US-20040067946-A1 Phthalatyinone-piperidino-derivatives as pde4 inhibitors TAKEDA GMBH (DE) 2004-04-08 US claimed
US-7531540-B2 Phthalazinone-piperidino-derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2009-05-12 US disclosed
US-20070129373-A1 Phthalazinone-piperidino-derivatives as PDE4 inhibitors ALTANA PHARMA AG 2007-06-07 US disclosed
US-7179810-B2 Such as 2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-2H-acetamide; phosphodiesterase inhibitors; for treatment of respiratory disorders ALTANA PHARMA AG (DE) 2007-02-20 US disclosed
US-20060148804-A1 Pde4 inhibitors for the treatment of neoplasms of lymphoid cells NYCOMED GMBH (DE) 2006-07-06 US disclosed
EP-1587512-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA Pharma AG (DE) 2005-10-26 EP disclosed
US-20050234062-A1 Phthalazinone-piperidino-derivatives as PDE4 inhibitors ALTANA PHARMA AG 2005-10-20 US disclosed
US-6953853-B2 Phospholipase inhbitors; antiinflammatory agents; respiratory system disorders ALTANA PHARMA AG (DE) 2005-10-11 US disclosed
WO-2004062671-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA PHARMA AG (DE) 2004-07-29 WO disclosed
US-20040067946-A1 Phthalatyinone-piperidino-derivatives as pde4 inhibitors TAKEDA GMBH (DE) 2004-04-08 US disclosed
EP-1362044-A1 PHTHALAZINONE-PIPERIDINO-DERIVATIVES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2003-11-19 EP disclosed
WO-2002064584-A1 PHTHALAYINONE-PIPERIDINO-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2002-08-22 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 (4 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-20060148804-A1 Pde4 inhibitors for the treatment of neoplasms of lymphoid cells PDE4A, PDE4B, PDE4C TSHR 1988/4885RAB9A 1718/4885SMN1; SMN2 3796/4885
US-20040067946-A1 Phthalatyinone-piperidino-derivatives as pde4 inhibitors PDE4A, PDE4B, PDE5A TSHR 3389/4885RAB9A 1893/4885SMN1; SMN2 2844/4885
US-20070129373-A1 Phthalazinone-piperidino-derivatives as PDE4 inhibitors PDE4A, PDE4B, PDE5A TSHR 3668/4885RAB9A 2280/4885SMN1; SMN2 3235/4885
US-20050234062-A1 Phthalazinone-piperidino-derivatives as PDE4 inhibitors PDE4A, PDE4B, PDE5A TSHR 3668/4885RAB9A 2280/4885SMN1; SMN2 3235/4885

“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.