SCHEMBL3609999

SCHEMBL3609999

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.45
ALDH1A1 P00352 10/20 0.39
HPGD P15428 10/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 7/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 3/20 0.38
GAA P10253 2/20 0.38
CYP2D6 P10635 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.37
PTGER4 P35408 1/20 0.36
CYP1A2 P05177 2/20 0.36
RCE1 Q9Y256 1/20 0.36
PIK3CA P42336 1/20 0.35
ROCK2 O75116 1/20 0.35

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 0.89 SLC22A12 (0.48) SLC22A12ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3607602 0.85 SLC22A12 (0.49) SLC22A12ALDH1A1HPGDHCAR3KDM4E
SCHEMBL3604441 0.83 SLC22A12 (0.43) SLC22A12ALDH1A1HPGDKDM4ECYP2C19
SCHEMBL3600487 0.82 SLC22A12 (0.41) SLC22A12ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3611968 0.82 SLC22A12 (0.43) SLC22A12ALDH1A1HPGDSMN1; SMN2HCAR3
SCHEMBL3609996 0.81 ALDH1A1 (0.47) SLC22A12ALDH1A1HPGDSMN1; SMN2HCAR3
SCHEMBL3612834 0.80 SLC22A12 (0.39) SLC22A12ALDH1A1HPGDHCAR3KDM4E
SCHEMBL27701259 0.75 REN (0.41) SLC22A12ALDH1A1HPGDHCAR3KDM4E
SCHEMBL3598899 0.72 JAK1 (0.38) PIK3CA
SCHEMBL3602824 0.71 SLC22A12 (0.47) SLC22A12ALDH1A1HPGDSMN1; SMN2KDM4E

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 SLC22A12 2455/4885ALDH1A1 515/4885HPGD 355/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 SLC22A12 2455/4885ALDH1A1 515/4885HPGD 355/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SLC22A12 2455/4885ALDH1A1 515/4885HPGD 355/4885

“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.