SCHEMBL2072836

SCHEMBL2072836

O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.65
DRD4 P21917 3/20 0.48
DRD2 P14416 1/20 0.48
PRKAA2 P54646 2/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
SLC40A1 Q9NP59 1/20 0.46
CCR3 P51677 3/20 0.46
CXCR4 P61073 1/20 0.45
MCHR1 Q99705 4/20 0.45
HTR7 P34969 1/20 0.44
SLC6A12 P48065 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL2070799 0.86 HPGDS (0.70) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2073644 0.84 HPGDS (0.68) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL13610005 0.84 HPGDS (0.75) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2070319 0.84 HPGDS (0.67) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2073414 0.84 HPGDS (0.67) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2070670 0.83 HPGDS (0.66) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2073536 0.82 HPGDS (0.65) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2073491 0.82 HPGDS (0.75) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2073241 0.82 HPGDS (0.75) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2070394 0.82 HPGDS (0.67) HPGDSDRD4DRD2PRKAA2PRKAB2

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 984/4885DRD4 3159/4885DRD2 2709/4885

“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.