SCHEMBL3609996

SCHEMBL3609996

CCc1nn(CCOC)c2cc(C(=O)NCOC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.47
HPGD P15428 14/20 0.47
KDM4E B2RXH2 12/20 0.47
CYP2C9 P11712 7/20 0.47
GAA P10253 6/20 0.47
CYP2C19 P33261 5/20 0.47
CYP2D6 P10635 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 3/20 0.46
SLC22A12 Q96S37 2/20 0.46
CYP1A2 P05177 3/20 0.45
PIK3CA P42336 1/20 0.44
RCE1 Q9Y256 1/20 0.44
GLA P06280 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR3 P49019 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 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
SCHEMBL3602824 0.91 SLC22A12 (0.47) ALDH1A1HPGDKDM4ECYP2C9GAA
SCHEMBL3607602 0.86 SLC22A12 (0.49) ALDH1A1HPGDKDM4ECYP2C9GAA
SCHEMBL3604440 0.85 SLC22A12 (0.43) ALDH1A1HPGDKDM4ECYP2C9GAA
SCHEMBL3606625 0.82 SLC22A12 (0.39) ALDH1A1HPGDKDM4ECYP2C9GAA
SCHEMBL3609999 0.81 SLC22A12 (0.45) ALDH1A1HPGDKDM4ECYP2C9GAA
SCHEMBL3611968 0.78 SLC22A12 (0.43) ALDH1A1HPGDKDM4ECYP2C9GAA
SCHEMBL27701259 0.76 REN (0.41) ALDH1A1HPGDKDM4ECYP2C9GAA
SCHEMBL3598894 0.74 TRPA1 (0.50) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL27272748 0.70 SLC22A12 (0.44) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL14909210 0.70 CNR2 (0.41) ALDH1A1HPGDKDM4EGAAMEN1

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-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
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 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 (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 ALDH1A1 515/4885HPGD 355/4885KDM4E 209/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 ALDH1A1 515/4885HPGD 355/4885KDM4E 209/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 ALDH1A1 515/4885HPGD 355/4885KDM4E 209/4885

“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.