SCHEMBL2073969

SCHEMBL2073969

COc1cccc(-c2ccc(C(=O)NC3CCN(Cc4ccccn4)CC3)cn2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.72
DRD4 P21917 3/20 0.61
MCHR1 Q99705 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
PRKAA2 P54646 3/20 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 1/20 0.48

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
SCHEMBL2070573 0.87 HPGDS (0.68) HPGDSDRD4MCHR1PRKAA2PRKAB2
SCHEMBL2071452 0.87 HPGDS (0.71) HPGDSDRD4MCHR1PRKAA2PRKAB2
SCHEMBL5053993 0.84 HPGDS (0.75) HPGDSDRD4MEN1KMT2A
SCHEMBL14190102 0.84 HPGDS (0.75) HPGDSDRD4MCHR1MEN1KMT2A
SCHEMBL2071556 0.83 HPGDS (1.00) HPGDSDRD4MCHR1PRKAA2CCR3
SCHEMBL2070158 0.82 HPGDS (0.71) HPGDSDRD4MCHR1BCHEACHE
SCHEMBL2072533 0.82 DRD4 (0.62) HPGDSDRD4MCHR1PRKAA2PRKAB2
SCHEMBL1366591 0.82 DRD4 (0.59) HPGDSDRD4MCHR1BCHEACHE
SCHEMBL2069964 0.81 HPGDS (0.65) HPGDSDRD4MCHR1BCHEACHE
SCHEMBL2073485 0.80 HPGDS (0.70) HPGDSDRD4KMT2APRKAA2

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 3159/4885MCHR1 3698/4885

“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.