SCHEMBL2070222

SCHEMBL2070222

CCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)nc2C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
USP2 O75604 1/20 0.60
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 4/20 0.57
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
P2RY12 Q9H244 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
CCR8 P51685 1/20 0.52

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
SCHEMBL4406616 0.84 KDM4E (0.58) MAPK1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL2997023 0.81 ALDH1A1 (0.61) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL4434197 0.73 MDM2 (0.67) MAPK1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL10043041 0.73 KMT2A (1.00) MAPK1USP2KDM4EHSD17B10KMT2A
SCHEMBL1753731 0.72 CHRM1 (0.61) USP2KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL17012010 0.72 KDM4E (0.58) MAPK1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL20641839 0.72 ALDH1A1 (0.55) MAPK1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL20641827 0.72 MEN1 (0.50) MAPK1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL8212461 0.72 KDM4E (0.60) MAPK1USP2KDM4EALDH1A1HSD17B10
SCHEMBL12855299 0.72 KDM4E (0.60) MAPK1USP2KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP claimed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO claimed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US claimed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK MAPK1 1305/4885USP2 4817/4885KDM4E 3026/4885

“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.