SCHEMBL3607602

SCHEMBL3607602

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.49
HCAR3 P49019 1/20 0.43
ALDH1A1 P00352 10/20 0.41
HPGD P15428 10/20 0.41
KDM4E B2RXH2 7/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2C19 P33261 4/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
CYP2D6 P10635 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 2/20 0.39
RCE1 Q9Y256 1/20 0.38
PIK3CA P42336 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL3609996 0.86 ALDH1A1 (0.47) SLC22A12HCAR3ALDH1A1HPGDKDM4E
SCHEMBL3609999 0.85 SLC22A12 (0.45) SLC22A12HCAR3ALDH1A1HPGDKDM4E
SCHEMBL3607938 0.84 SLC22A12 (0.55) SLC22A12HCAR3ALDH1A1HPGD
SCHEMBL3611968 0.82 SLC22A12 (0.43) SLC22A12HCAR3ALDH1A1HPGDKDM4E
SCHEMBL27701259 0.80 REN (0.41) SLC22A12HCAR3ALDH1A1HPGDKDM4E
SCHEMBL3603076 0.79 SLC22A12 (0.46) SLC22A12
SCHEMBL3616599 0.78 SLC22A12 (0.49) SLC22A12ALDH1A1HPGDKDM4ECYP2C19
SCHEMBL3602824 0.76 SLC22A12 (0.47) SLC22A12ALDH1A1HPGDKDM4ECYP2C9
SCHEMBL13387237 0.76 KMT2A (0.48) ALDH1A1HPGDKDM4ECYP2C19KMT2A
SCHEMBL3604215 0.74 SLC22A12 (0.44) SLC22A12HCAR3ALDH1A1HPGDPOLB

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 8 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-7659295-B2 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts ALLERGAN, INC. (US) 2010-02-09 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 2455/4885HCAR3 1184/4885ALDH1A1 515/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 SLC22A12 2455/4885HCAR3 1184/4885ALDH1A1 515/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SLC22A12 2455/4885HCAR3 1184/4885ALDH1A1 515/4885

“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.