SCHEMBL2072301

SCHEMBL2072301

COC(=O)c1cc(C)nc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.58
CCNE1 P24864 7/20 0.50
CDK2 P24941 7/20 0.50
RBP4 P02753 3/20 0.47
GABRA5 P31644 3/20 0.45
TTR P02766 1/20 0.44
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL2070941 0.86 HPGDS (0.59) HPGDSCCNE1CDK2GABRA5
SCHEMBL2072800 0.85 HPGDS (0.58) HPGDSCCNE1CDK2
SCHEMBL2073448 0.84 HPGDS (0.61) HPGDSGABRA5USP30
SCHEMBL2070224 0.83 HPGDS (0.70) HPGDSCCNE1CDK2GABRA5USP30
SCHEMBL2072753 0.81 HPGDS (0.64) HPGDSCCNE1CDK2GABRA5USP30
SCHEMBL2070477 0.81 HPGDS (0.66) HPGDSCCNE1CDK2USP30
SCHEMBL2072731 0.81 HPGDS (0.61) HPGDSCCNE1CDK2GABRA5USP30
SCHEMBL2072247 0.80 HPGDS (0.67) HPGDSCCNE1CDK2GABRA5USP30
SCHEMBL2071183 0.80 HPGDS (0.57) HPGDSGABRA5USP30
SCHEMBL2071389 0.80 HPGDS (0.63) HPGDSCCNE1CDK2

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.