SCHEMBL2073644

SCHEMBL2073644

O=C(NC1CCN(Cc2cnc3ccccc3n2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.68
DRD4 P21917 2/20 0.50
DRD2 P14416 1/20 0.50
CXCR4 P61073 1/20 0.49
PRKAA2 P54646 2/20 0.48
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
CCR3 P51677 4/20 0.48
MCHR1 Q99705 5/20 0.47
SLC6A12 P48065 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR7 P34969 2/20 0.46
USP30 Q70CQ3 1/20 0.46
HTR2C P28335 1/20 0.45

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
SCHEMBL2070670 0.88 HPGDS (0.66) HPGDSDRD4DRD2CXCR4PRKAA2
SCHEMBL2070319 0.87 HPGDS (0.67) HPGDSDRD4DRD2CXCR4PRKAA2
SCHEMBL2073414 0.87 HPGDS (0.67) HPGDSDRD4DRD2CXCR4PRKAA2
SCHEMBL2071452 0.87 HPGDS (0.71) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2072689 0.86 HPGDS (0.70) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2071294 0.86 HPGDS (0.70) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL13610005 0.86 HPGDS (0.75) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2070731 0.86 HPGDS (0.67) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2072401 0.85 HPGDS (0.69) HPGDSDRD4DRD2PRKAA2PRKAB2
SCHEMBL2070459 0.85 HPGDS (0.64) HPGDSDRD4DRD2USP30

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.