SCHEMBL5558332

SCHEMBL5558332

O=C(O)C1(C(=O)c2ccccc2)CC=CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
HDAC4 P56524 1/20 0.35
CYP2D6 P10635 1/20 0.35
CES1 P23141 3/20 0.34
CES2 O00748 2/20 0.34
TSHR P16473 2/20 0.34
DAO P14920 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
PARP1 P09874 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL28178056 0.83 CA2 (0.44) LMNACA2CA4HDAC4CES1
SCHEMBL2488949 0.79 FFAR3 (0.31)
SCHEMBL9228208 0.77 LMNA (0.38) LMNACA2CA4HDAC4CES1
SCHEMBL10943127 0.75 LMNA (0.39) LMNACA2CA4HDAC4CES1
SCHEMBL5558534 0.74 AKR1C1 (0.47) LMNAHDAC4CYP2D6CES1CES2
SCHEMBL28629369 0.72 CYP2D6 (0.35) CYP2D6AKR1C1
SCHEMBL7784955 0.71 SIGMAR1 (0.44) LMNACYP2D6CES1CES2TSHR
SCHEMBL9487687 0.71
SCHEMBL18951975 0.70 LMNA (0.41) LMNACA2CA4CES1CES2
SCHEMBL10946925 0.70 ALDH1A1 (0.36) LMNACES1CES2TSHRALDH1A1

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-7220746-B2 Pyrrolidinedione substituted piperidine-phthalazones as PDE4 inhibitors ALTANA PHARMA AG (DE) 2007-05-22 US disclosed
EP-1537100-B1 PYRROLIDINEDIONE SUBSTITUTED PIPERIDINE-PHTHALAZONES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2007-04-25 EP disclosed
US-20060166995-A1 Piperidine-n-oxide-derivatives ALTANA PHARMA AG (DE) 2006-07-27 US disclosed
US-20060160813-A1 Pyrrolidinedione substituted piperidine-phtalazones as pde4 inhibitors ALTANA PHARMA AG (DE) 2006-07-20 US disclosed
US-20060094710-A1 Piperidine-pyridazones and phthalazones as pde4 inhibitors ALTANA PHARMA AG (DE) 2006-05-04 US disclosed
EP-1556049-A1 PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2005-07-27 EP disclosed
EP-1542987-A1 PIPERIDINE-N-OXIDE-DERIVATIVES ALTANA Pharma AG (DE) 2005-06-22 EP disclosed
EP-1537100-A1 PYRROLIDINEDIONE SUBSTITUTED PIPERIDINE-PHTHALAZONES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2005-06-08 EP disclosed
WO-2004017974-A1 PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed
WO-2004018450-A1 PIPERIDINE-N-OXIDE-DERIVATIVES ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed
WO-2004018457-A1 PYRROLIDINEDIONE SUBSTITUTED PIPERIDINE-PHTHALAZONES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 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 (3 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-20060166995-A1 Piperidine-n-oxide-derivatives PDE4A, PDE3A, PDE2A LMNA 2629/4885CA2 1403/4885CA4 425/4885
US-20060160813-A1 Pyrrolidinedione substituted piperidine-phtalazones as pde4 inhibitors PDE4A, PDE4B, PDE3B LMNA 3936/4885CA2 1119/4885CA4 168/4885
US-20060094710-A1 Piperidine-pyridazones and phthalazones as pde4 inhibitors PDE4A, PDE4B, PDE3A LMNA 3865/4885CA2 770/4885CA4 123/4885

“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.