SCHEMBL2072698

SCHEMBL2072698

COc1cc2nc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)nc(N)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.57
ADRA1A P35348 4/20 0.50
ADRA1B P35368 4/20 0.50
ADRA1D P25100 3/20 0.50
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL2071033 0.84 HPGDS (0.58) HPGDS
SCHEMBL2070224 0.80 HPGDS (0.70) HPGDS
SCHEMBL2072301 0.80 HPGDS (0.58) HPGDS
SCHEMBL2071720 0.80 HPGDS (0.61) HPGDS
SCHEMBL2071389 0.79 HPGDS (0.63) HPGDS
SCHEMBL2072921 0.79 HPGDS (0.74) HPGDS
SCHEMBL2073961 0.79 HPGDS (0.64) HPGDS
SCHEMBL2072772 0.79 HPGDS (0.64) HPGDS
SCHEMBL4393046 0.79 HPGDS (0.66) HPGDS
SCHEMBL2070477 0.79 HPGDS (0.66) HPGDS

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 984/4885ADRA1A 603/4885ADRA1B 461/4885

“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.