SCHEMBL2071695

SCHEMBL2071695

COc1cc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.61
GABRA5 P31644 3/20 0.46
WNT3A P56704 1/20 0.46
USP30 Q70CQ3 1/20 0.44
METTL3 Q86U44 1/20 0.44
EGLN1 Q9GZT9 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GRM5 P41594 1/20 0.42
KMT2A Q03164 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
SCHEMBL2072769 0.88 HPGDS (0.57) HPGDSGABRA5WNT3AUSP30METTL3
SCHEMBL2070542 0.86 HPGDS (0.57) HPGDSGABRA5WNT3AUSP30METTL3
SCHEMBL2071348 0.86 HPGDS (0.55) HPGDSGABRA5WNT3AUSP30METTL3
SCHEMBL2073448 0.83 HPGDS (0.61) HPGDSGABRA5WNT3AUSP30
SCHEMBL2071033 0.83 HPGDS (0.58) HPGDSGABRA5WNT3AUSP30ALDH1A1
SCHEMBL2070763 0.82 HPGDS (0.62) HPGDSGABRA5WNT3AUSP30ALDH1A1
SCHEMBL2072791 0.82 HPGDS (0.56) HPGDSGABRA5USP30METTL3GRM5
SCHEMBL2070824 0.82 HPGDS (0.67) HPGDSWNT3AUSP30
SCHEMBL2072921 0.82 HPGDS (0.74) HPGDSGABRA5USP30GRM5
SCHEMBL2070530 0.81 HPGDS (0.66) HPGDSGABRA5USP30GRM5

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 4 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
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO 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.