SCHEMBL2069780

SCHEMBL2069780

CN1CCC(NC(=O)c2ccc(-c3ccccc3)nc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.69
USP30 Q70CQ3 2/20 0.67
ATR Q13535 2/20 0.58
BAZ2B Q9UIF8 1/20 0.58
GABRA5 P31644 1/20 0.57
PRKAB2 O43741 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PRKAG3 Q9UGI9 1/20 0.54
PRKAG2 Q9UGJ0 1/20 0.54
PRKAB1 Q9Y478 1/20 0.54
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MCHR1 Q99705 1/20 0.50
LDHA P00338 1/20 0.50
CKS1B P61024 1/20 0.50

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
SCHEMBL14190118 0.89 HPGDS (0.71) HPGDSUSP30BAZ2BPRKAB2PRKAG1
SCHEMBL2073316 0.88 HPGDS (0.58) HPGDSUSP30ATRNPC1RAB9A
SCHEMBL12775215 0.88 HPGDS (0.58) HPGDSUSP30ATRGABRA5NPC1
SCHEMBL2072921 0.87 HPGDS (0.74) HPGDSUSP30ATRGABRA5DYRK1A
SCHEMBL4636340 0.86 GABRA5 (0.55) HPGDSUSP30ATRGABRA5PRKAB2
SCHEMBL12776620 0.86 HPGDS (0.53) HPGDSUSP30ATRGABRA5PRKAB2
SCHEMBL2071408 0.85 HPGDS (0.66) HPGDSUSP30BAZ2BPRKAB2PRKAG1
SCHEMBL5053993 0.85 HPGDS (0.75) HPGDSUSP30ATRGABRA5MEN1
SCHEMBL12775220 0.85 HPGDS (0.60) HPGDSUSP30ATRGABRA5AXL
SCHEMBL2073964 0.84 PRKAA2 (0.78) HPGDSUSP30GABRA5PRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US 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 HPGDS 984/4885USP30 4416/4885ATR 4740/4885

“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.