SCHEMBL2072800

SCHEMBL2072800

Cc1cc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc(N2CCCCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.58
CCNE1 P24864 6/20 0.50
CDK2 P24941 6/20 0.50
GBA1 P04062 6/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL2072731 0.88 HPGDS (0.61) HPGDSCCNE1CDK2ALDH1A1TSHR
SCHEMBL2070941 0.86 HPGDS (0.59) HPGDSCCNE1CDK2
SCHEMBL2072301 0.85 HPGDS (0.58) HPGDSCCNE1CDK2
SCHEMBL2069969 0.83 HPGDS (0.61) HPGDS
SCHEMBL2070224 0.83 HPGDS (0.70) HPGDSCCNE1CDK2
SCHEMBL2072753 0.81 HPGDS (0.64) HPGDSCCNE1CDK2PDE10A
SCHEMBL2070477 0.81 HPGDS (0.66) HPGDSCCNE1CDK2
SCHEMBL2072480 0.81 HPGDS (0.63) HPGDSALDH1A1HPGD
SCHEMBL2072247 0.80 HPGDS (0.67) HPGDSCCNE1CDK2
SCHEMBL2070824 0.80 HPGDS (0.67) 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 984/4885CCNE1 4165/4885CDK2 1989/4885

“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.