SCHEMBL6070905

SCHEMBL6070905

CCOC(=O)c1c(C)nn(C2CCCCC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.47
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.46
PDE7A Q13946 2/20 0.45
PDE4B Q07343 1/20 0.43
MAPK1 P28482 1/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 2/20 0.40
AR P10275 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL20551562 0.86 MAPK1 (0.47) PDE4DALDH1A1TSHRPDE7AMAPK1
SCHEMBL4505334 0.84 ALDH1A1 (0.42) PDE4DALDH1A1TSHRPDE7APDE4B
SCHEMBL4519120 0.84 MAPK1 (0.48) PDE4DALDH1A1TSHRPDE7AMAPK1
SCHEMBL23883533 0.83 PDE4D (0.47) PDE4DALDH1A1TSHRPDE4BMAPK1
SCHEMBL20551525 0.82 MAPK1 (0.48) PDE4DALDH1A1TSHRPDE7AMAPK1
SCHEMBL4751212 0.80 HPGD (0.42) ALDH1A1PDE7APOLBKMT2AMEN1
SCHEMBL26099994 0.79 PDE4D (0.43) PDE4DALDH1A1TSHRPDE7APDE4B
SCHEMBL22286136 0.78 MAPK1 (0.50) PDE4DALDH1A1TSHRPDE4BMAPK1
SCHEMBL11243886 0.78 P2RX7 (0.46) ALDH1A1TSHRPDE7AMAPK1POLB
SCHEMBL11250634 0.76 P2RX7 (0.47) ALDH1A1TSHRPDE7AMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US claimed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US disclosed
WO-2003105902-A1 TREATMENT FOR DEPRESSION AND ANXIETY BY THE COMBINATION OF A PDE IV INHIBITOR AND AN ANTIDEPRESSANT OR AN ANXIOLYTIC AGENT PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 US 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 (1 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-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4D 5/4885ALDH1A1 1208/4885TSHR 2740/4885

“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.