SCHEMBL8247342

SCHEMBL8247342

CC(C)c1cncc(/C=C/C(=O)NC2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CYP1A2 P05177 1/20 0.42
CNR2 P34972 1/20 0.41
C3AR1 Q16581 1/20 0.41
MAOB P27338 2/20 0.41
SMYD3 Q9H7B4 1/20 0.40
KDM5A P29375 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 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
SCHEMBL8436676 0.82 C3AR1 (0.50) RAB9ASMN1; SMN2NPC1CCNCCDK8
SCHEMBL5257117 0.80 CYP1A2 (0.55) RAB9ASMN1; SMN2NPC1CCNCCDK8
SCHEMBL5257113 0.80 CYP1A2 (0.55) RAB9ASMN1; SMN2NPC1CCNCCDK8
SCHEMBL23015759 0.76 DYRK1A (0.42) RAB9ASMN1; SMN2NPC1CCNCCDK8
SCHEMBL14069904 0.68 NAMPT (0.58) RAB9ASMN1; SMN2NPC1CYP1A2C3AR1
SCHEMBL30834271 0.67 CYP1A2 (0.69) RAB9ASMN1; SMN2NPC1CYP1A2MAOB
SCHEMBL21593634 0.67 DRD2 (0.63) RAB9ASMN1; SMN2NPC1CYP1A2CNR2
SCHEMBL7040433 0.67 DRD2 (0.63) RAB9ASMN1; SMN2NPC1CYP1A2CNR2
SCHEMBL7040434 0.67 DRD2 (0.63) RAB9ASMN1; SMN2NPC1CYP1A2CNR2
SCHEMBL25692405 0.67 NPC1 (0.49) RAB9ASMN1; SMN2NPC1CNR2SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 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 (1 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-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A RAB9A 2625/4885SMN1; SMN2 3859/4885NPC1 3077/4885

“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.