SCHEMBL2073590

SCHEMBL2073590

CC(C)Oc1cccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.65
PRKAA2 P54646 3/20 0.53
CCR3 P51677 5/20 0.52
DRD4 P21917 2/20 0.52
DRD2 P14416 1/20 0.52
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
KMT2A Q03164 1/20 0.51
SSTR5 P35346 3/20 0.51
KCNH2 Q12809 1/20 0.49
MCHR1 Q99705 1/20 0.49

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
SCHEMBL2072860 0.94 HPGDS (0.65) HPGDSPRKAA2CCR3DRD4DRD2
SCHEMBL2073481 0.93 HPGDS (0.66) HPGDSPRKAA2CCR3DRD4DRD2
SCHEMBL2070158 0.92 HPGDS (0.71) HPGDSPRKAA2CCR3DRD4DRD2
SCHEMBL2070098 0.91 HPGDS (0.66) HPGDSPRKAA2CCR3DRD4DRD2
SCHEMBL2072409 0.90 HPGDS (0.67) HPGDSPRKAA2CCR3DRD4DRD2
SCHEMBL2071099 0.88 HPGDS (0.61) HPGDSCCR3SSTR5MCHR1
SCHEMBL2070842 0.88 HPGDS (0.60) HPGDSCCR3DRD4DRD2SSTR5
SCHEMBL2072512 0.88 HPGDS (0.68) HPGDSPRKAA2CCR3DRD4DRD2
SCHEMBL2072906 0.88 HPGDS (0.62) HPGDSPRKAA2CCR3DRD4DRD2
SCHEMBL13610005 0.87 HPGDS (0.75) HPGDSPRKAA2DRD4DRD2PRKAB2

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 984/4885PRKAA2 1504/4885CCR3 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.