SCHEMBL2071871

SCHEMBL2071871

O=C(NC1CCN(Cc2cccc(-c3cnccn3)c2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.67
SMO Q99835 1/20 0.55
CCR3 P51677 4/20 0.54
DRD4 P21917 2/20 0.54
DRD2 P14416 1/20 0.54
PRKAA2 P54646 3/20 0.52
PRKAB2 O43741 2/20 0.52
PRKAG1 P54619 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKAG3 Q9UGI9 2/20 0.52
PRKAG2 Q9UGJ0 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
MCHR1 Q99705 3/20 0.50
SIGMAR1 Q99720 2/20 0.50
CXCR4 P61073 1/20 0.50
SLC6A12 P48065 1/20 0.50
TMEM97 Q5BJF2 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
SCHEMBL2072113 0.92 HPGDS (0.69) HPGDSSMOCCR3DRD4DRD2
SCHEMBL2073034 0.91 HPGDS (0.70) HPGDSSMOCCR3DRD4DRD2
SCHEMBL2072143 0.89 HPGDS (0.68) HPGDSSMOCCR3DRD4DRD2
SCHEMBL13610005 0.89 HPGDS (0.75) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2070693 0.87 HPGDS (0.70) HPGDSCCR3DRD4DRD2PRKAA2
SCHEMBL2073491 0.87 HPGDS (0.75) HPGDSCCR3DRD4DRD2PRKAA2
SCHEMBL2071799 0.86 HPGDS (0.71) HPGDSCCR3DRD4DRD2PRKAA2
SCHEMBL2070197 0.86 HPGDS (0.68) HPGDSCCR3DRD4DRD2PRKAA2
SCHEMBL2072048 0.86 HPGDS (0.68) HPGDSSMOCCR3DRD4DRD2
SCHEMBL2073487 0.85 HPGDS (0.70) HPGDSSMOCCR3DRD4DRD2

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 4 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
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 HPGDS 984/4885SMO 1387/4885CCR3 2034/4885

“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.