SCHEMBL3604441

SCHEMBL3604441

CCc1nn(CC2CC2)c2cc(C(=O)N(C)OC)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.43
GPR119 Q8TDV5 3/20 0.37
PTGER4 P35408 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 5/20 0.35
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
CRHR1 P34998 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL3602826 0.87 SLC22A12 (0.48) SLC22A12KDM4EALDH1A1HPGDCYP2C19
SCHEMBL7970829 0.84 SLC22A12 (0.47) SLC22A12PTGER4KDM4EALDH1A1HPGD
SCHEMBL7984640 0.83 SLC22A12 (0.61) SLC22A12PTGER4MEN1KMT2A
SCHEMBL3616599 0.83 SLC22A12 (0.49) SLC22A12KDM4EALDH1A1HPGDMEN1
SCHEMBL3609999 0.83 SLC22A12 (0.45) SLC22A12PTGER4KDM4EALDH1A1HPGD
SCHEMBL3597239 0.80 SLC22A12 (0.43) SLC22A12ALDH1A1HPGDMEN1CYP2C19
SCHEMBL3604440 0.80 SLC22A12 (0.43) SLC22A12KDM4EALDH1A1HPGDMEN1
SCHEMBL3597241 0.80 SLC22A12 (0.43) SLC22A12ALDH1A1HPGDMEN1CYP2C19
SCHEMBL3600487 0.78 SLC22A12 (0.41) SLC22A12GPR119KDM4EALDH1A1HPGD
SCHEMBL3612834 0.78 SLC22A12 (0.39) SLC22A12GPR119KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SLC22A12 2455/4885GPR119 266/4885PTGER4 27/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 SLC22A12 2455/4885GPR119 266/4885PTGER4 27/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SLC22A12 2455/4885GPR119 266/4885PTGER4 27/4885

“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.