SCHEMBL2073564

SCHEMBL2073564

COc1ccc(-c2cnc(C)nc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.54
WNT3A P56704 1/20 0.45
GABRA5 P31644 3/20 0.42
FYN P06241 1/20 0.41
NEK2 P51955 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KIT P10721 1/20 0.40
GPR6 P46095 1/20 0.40
HTR7 P34969 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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 0.83 HPGDS (0.57) HPGDSWNT3AGABRA5FYNACHE
SCHEMBL2071033 0.80 HPGDS (0.58) HPGDSWNT3AGABRA5ALDH1A1
SCHEMBL2072753 0.79 HPGDS (0.64) HPGDSGABRA5
SCHEMBL4393046 0.79 HPGDS (0.66) HPGDSACHE
SCHEMBL2071711 0.79 HPGDS (0.55) HPGDSWNT3AGABRA5ALDH1A1HTR7
SCHEMBL2071494 0.79 HPGDS (0.53) HPGDSWNT3AGABRA5ALDH1A1
SCHEMBL2073332 0.79 HPGDS (0.59) HPGDSWNT3AGABRA5ALDH1A1
SCHEMBL2070830 0.79 HPGDS (0.58) HPGDSWNT3AGABRA5ACHEALDH1A1
SCHEMBL2071060 0.79 HPGDS (0.55) HPGDSWNT3AGABRA5ALDH1A1
SCHEMBL2072698 0.78 HPGDS (0.57) HPGDS

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 984/4885WNT3A 3094/4885GABRA5 1998/4885

“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.