SCHEMBL2437179

SCHEMBL2437179

COC(=O)c1cn(C(C)C)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
SRD5A2 P31213 1/20 0.43
NR4A2 P43354 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
S1PR3 Q99500 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL2436442 0.90 LTB4R (0.53) SMN1; SMN2MAOBCNR1CNR2HRH3
SCHEMBL2434205 0.85 NR4A2 (0.58) NPC1RAB9ASMN1; SMN2MAOBTSHR
SCHEMBL2436240 0.83 NR4A2 (0.62) RAB9ASMN1; SMN2MAOBTSHRL3MBTL1
SCHEMBL2886621 0.80 MEN1 (0.65) SMN1; SMN2MAOBTSHRL3MBTL1CNR1
SCHEMBL2434118 0.78 LRRK2 (0.49) L3MBTL1LMNAKMT2AHPGD
SCHEMBL2434968 0.76 NR4A2 (0.65) SMN1; SMN2TSHRL3MBTL1NR4A2LMNA
SCHEMBL2882506 0.75 MEN1 (0.65) SMN1; SMN2LTB4RLTB4R2LMNAKMT2A
SCHEMBL28683780 0.75 MAOB (0.56) NPC1RAB9ASMN1; SMN2MAOBLMNA
SCHEMBL498716 0.74 PRPS1 (0.45) SMN1; SMN2L3MBTL1NR4A2LMNAKMT2A
SCHEMBL21122759 0.74 SRD5A2 (0.55) NPC1RAB9ALTB4RLTB4R2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor NOVARTIS AG (CH) 2012-07-05 US disclosed
EP-1945217-B1 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2012-05-02 EP disclosed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed
CN-101693709-A Bicyclic amides as kinase inhibitors NOVARTIS AG 2010-04-14 CN disclosed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
CN-101304747-A Combinations comprising a VEGF receptor inhibitor and a penetration enhancer NOVARTIS AG (CH) 2008-11-12 CN disclosed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
CN-101018784-A Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2007-08-15 CN disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 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 (4 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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 NPC1 1208/4885RAB9A 3765/4885SMN1; SMN2 4483/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 NPC1 2499/4885RAB9A 1861/4885SMN1; SMN2 3726/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 NPC1 2676/4885RAB9A 1808/4885SMN1; SMN2 3853/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 NPC1 1208/4885RAB9A 3765/4885SMN1; SMN2 4483/4885

“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.