SCHEMBL2072704

SCHEMBL2072704

CCOC(=O)c1cnc(C(F)(F)F)nc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.59
PCSK9 Q8NBP7 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRA5 P31644 4/20 0.43
MAP4K4 O95819 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSNK1D P48730 1/20 0.42
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL2070380 0.86 HPGDS (0.60) HPGDSPCSK9ALDH1A1MEN1KMT2A
SCHEMBL2072666 0.84 HPGDS (0.63) HPGDSCYP2C9GABRA5MAP4K4
SCHEMBL2071183 0.82 HPGDS (0.57) HPGDSGABRA5MAP4K4
SCHEMBL2071847 0.80 HPGDS (0.54) HPGDSGABRA5
SCHEMBL2071362 0.79 HPGDS (0.62) HPGDSKMT2AGABRA5MAP4K4
SCHEMBL2072753 0.79 HPGDS (0.64) HPGDSMEN1KMT2AGABRA5MAP4K4
SCHEMBL2072456 0.78 HPGDS (0.68) HPGDS
SCHEMBL2070138 0.77 HPGDS (0.64) HPGDSALDH1A1HPGDKDM4EMAPT
SCHEMBL2072762 0.77 HPGDS (0.61) HPGDSGABRA5MAP4K4
SCHEMBL2070485 0.76 HPGDS (0.60) HPGDSALDH1A1KDM4EMAPTGABRA5

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 984/4885PCSK9 537/4885ALDH1A1 148/4885

“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.