SCHEMBL1364993

SCHEMBL1364993

NC1CCN(c2ncc3c(n2)CCOC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AB1 P08238 3/20 0.38
ALDH1A1 P00352 1/20 0.36
KDM1A O60341 1/20 0.36
DKK1 O94907 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MERTK Q12866 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AKT2 P31751 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PIK3CB P42338 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL1366043 0.92 MKNK1 (0.40) PTPN11POLBSMN1; SMN2HSP90AB1
SCHEMBL13690044 0.86 HSP90AB1 (0.50) POLBSMN1; SMN2HSP90AB1ALDH1A1MAPT
SCHEMBL3721054 0.84 KDM4E (0.49) POLBSMN1; SMN2HSP90AB1ALDH1A1KDM4E
SCHEMBL12143536 0.79 HSP90AB1 (0.37) POLBSMN1; SMN2HSP90AB1ALDH1A1MAPT
SCHEMBL12142170 0.79 HSP90AB1 (0.35) POLBSMN1; SMN2HSP90AB1ALDH1A1MAPT
SCHEMBL16509717 0.74 LMNA (0.35) HSP90AB1ALDH1A1MAPTLMNA
SCHEMBL17592952 0.70 SMYD3 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL23009509 0.70 HSP90AA1 (0.41) POLBHSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL12142330 0.69 LMNA (0.45) POLBHSP90AB1MAPTLMNA
SCHEMBL13572986 0.69 LMNA (0.45) POLBHSP90AB1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
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-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP 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
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US 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 (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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S PTPN11 3825/4885POLB 2811/4885SMN1; SMN2 1483/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK PTPN11 3568/4885POLB 2232/4885SMN1; SMN2 1371/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S PTPN11 3825/4885POLB 2811/4885SMN1; SMN2 1483/4885

“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.