SCHEMBL3604440

SCHEMBL3604440

CCc1nn(CC2CC2)c2cc(C(=O)NCOC)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.43
ALDH1A1 P00352 8/20 0.42
HPGD P15428 8/20 0.42
KDM4E B2RXH2 6/20 0.42
CYP2C19 P33261 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C9 P11712 5/20 0.39
CYP1A2 P05177 2/20 0.39
EP300 Q09472 3/20 0.39
CREBBP Q92793 3/20 0.39
ROCK2 O75116 1/20 0.38
CNR2 P34972 1/20 0.37
BRD4 O60885 2/20 0.37
CYP3A4 P08684 2/20 0.37
RORC P51449 1/20 0.37
CRHR1 P34998 1/20 0.36
SSTR4 P31391 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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 0.87 SLC22A12 (0.47) SLC22A12ALDH1A1HPGDKDM4ECYP2C19
SCHEMBL7970829 0.86 SLC22A12 (0.47) SLC22A12ALDH1A1HPGDKDM4ECYP2C19
SCHEMBL3609996 0.85 ALDH1A1 (0.47) SLC22A12ALDH1A1HPGDKDM4ECYP2C19
SCHEMBL3616599 0.82 SLC22A12 (0.49) SLC22A12ALDH1A1HPGDKDM4ECYP2C19
SCHEMBL7984640 0.82 SLC22A12 (0.61) SLC22A12MEN1KMT2A
SCHEMBL3604441 0.80 SLC22A12 (0.43) SLC22A12ALDH1A1HPGDKDM4ECYP2C19
SCHEMBL3606625 0.78 SLC22A12 (0.39) SLC22A12ALDH1A1HPGDKDM4ECYP2C19
SCHEMBL8358690 0.78 PDE4A (0.59) SLC22A12
SCHEMBL3597239 0.75 SLC22A12 (0.43) SLC22A12ALDH1A1HPGDCYP2C19MEN1
SCHEMBL3597241 0.75 SLC22A12 (0.43) SLC22A12ALDH1A1HPGDCYP2C19MEN1

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 5 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
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.