SCHEMBL2071595

SCHEMBL2071595

COc1ccc2oc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 15/20 0.56
GABRA5 P31644 1/20 0.42
WNT3A P56704 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
SCHEMBL2072754 0.88 HPGDS (0.61) HPGDSGABRA5
SCHEMBL2072061 0.84 HPGDS (0.57) HPGDS
SCHEMBL2072275 0.82 HPGDS (0.57) HPGDSWNT3A
SCHEMBL2071389 0.81 HPGDS (0.63) HPGDS
SCHEMBL2071695 0.80 HPGDS (0.61) HPGDSGABRA5WNT3A
SCHEMBL2071576 0.80 HPGDS (0.54) HPGDSGABRA5
SCHEMBL2072774 0.80 HPGDS (0.66) HPGDS
SCHEMBL2073522 0.79 HPGDS (0.68) HPGDS
SCHEMBL2073816 0.78 HPGDS (0.66) HPGDS
SCHEMBL2071033 0.78 HPGDS (0.58) HPGDSGABRA5WNT3A

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 984/4885GABRA5 1998/4885WNT3A 3094/4885

“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.