SCHEMBL2073500

SCHEMBL2073500

O=C(NC1CCN(c2nccc(-c3ccccc3CCO)n2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.57
CCNE1 P24864 11/20 0.44
CDK2 P24941 11/20 0.44
HTR7 P34969 1/20 0.43
USP30 Q70CQ3 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND3 P30281 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK6 Q00534 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL2070477 0.88 HPGDS (0.66) HPGDSCCNE1CDK2USP30CDK4
SCHEMBL2070224 0.83 HPGDS (0.70) HPGDSCCNE1CDK2USP30
SCHEMBL2071389 0.82 HPGDS (0.63) HPGDSCCNE1CDK2CDK4CCND1
SCHEMBL2072011 0.81 HPGDS (0.66) HPGDSCCNE1CDK2USP30CDK4
SCHEMBL2072772 0.80 HPGDS (0.64) HPGDSCCNE1CDK2USP30DRD2
SCHEMBL2072386 0.79 HPGDS (0.57) HPGDSCCNE1CDK2CDK4CCND1
SCHEMBL2073961 0.78 HPGDS (0.64) HPGDSCCNE1CDK2USP30
SCHEMBL2070878 0.78 HPGDS (0.61) HPGDSCCNE1CDK2USP30
SCHEMBL2072382 0.77 HPGDS (0.62) HPGDSCCNE1CDK2DRD2DRD4
SCHEMBL2072247 0.77 HPGDS (0.67) HPGDSCCNE1CDK2USP30DRD2

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.