SCHEMBL2073206

SCHEMBL2073206

COc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.65
CCR3 P51677 2/20 0.51
PRKAA2 P54646 2/20 0.49
WNT3A P56704 1/20 0.49
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
ACHE P22303 2/20 0.48
BCHE P06276 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MCHR1 Q99705 3/20 0.47
DRD4 P21917 2/20 0.47
KCNH2 Q12809 1/20 0.46
SSTR5 P35346 1/20 0.46

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
SCHEMBL2072331 0.95 HPGDS (0.63) HPGDSCCR3PRKAA2PRKAB2PRKAG1
SCHEMBL2071292 0.94 HPGDS (0.65) HPGDSCCR3PRKAA2WNT3APRKAB2
SCHEMBL2072774 0.93 HPGDS (0.66) HPGDSCCR3PRKAA2PRKAB2PRKAG1
SCHEMBL2073816 0.91 HPGDS (0.66) HPGDSCCR3PRKAA2PRKAB2PRKAG1
SCHEMBL2073023 0.91 HPGDS (0.67) HPGDSCCR3WNT3AALDH1A1DRD4
SCHEMBL2071100 0.90 HPGDS (0.68) HPGDSCCR3WNT3AACHEALDH1A1
SCHEMBL2073522 0.89 HPGDS (0.68) HPGDSCCR3PRKAA2PRKAB2PRKAG1
SCHEMBL2071806 0.88 HPGDS (0.65) HPGDSCCR3WNT3AACHEALDH1A1
SCHEMBL2070158 0.88 HPGDS (0.71) HPGDSCCR3PRKAA2ACHEBCHE
SCHEMBL2071209 0.87 HPGDS (0.64) HPGDSCCR3WNT3AACHEALDH1A1

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 2 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-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 984/4885CCR3 2034/4885PRKAA2 1504/4885

“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.