SCHEMBL2072693

SCHEMBL2072693

O=C(NC1CCN(CCCC(F)(F)F)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 11/20 0.80
HTR7 P34969 3/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
CSNK1E P49674 1/20 0.46
GRM5 P41594 1/20 0.46
USP30 Q70CQ3 1/20 0.46

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
SCHEMBL2070457 0.89 HPGDS (1.00) HPGDSHTR7DRD2DRD4USP30
SCHEMBL31580459 0.89 HPGDS (1.00) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2072024 0.88 HPGDS (0.75) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2073037 0.88 HPGDS (0.73) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2071354 0.88 HPGDS (0.73) HPGDSHTR7DRD2DRD4
SCHEMBL2071391 0.88 HPGDS (0.71) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2071480 0.87 HPGDS (0.76) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2072747 0.87 HPGDS (0.70) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2071385 0.87 HPGDS (0.70) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2071381 0.84 HPGDS (0.67) HPGDSHTR7DRD2DRD4USP30

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 984/4885HTR7 2193/4885DRD2 2709/4885

“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.