SCHEMBL2072769

SCHEMBL2072769

COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)ncn2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.57
WNT3A P56704 3/20 0.48
ALDH1A1 P00352 1/20 0.44
FYN P06241 1/20 0.43
ACHE P22303 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRA5 P31644 1/20 0.42
METTL3 Q86U44 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
GRM5 P41594 1/20 0.41
USP30 Q70CQ3 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL2071695 0.88 HPGDS (0.61) HPGDSWNT3AALDH1A1GABRA5METTL3
SCHEMBL2071033 0.84 HPGDS (0.58) HPGDSWNT3AALDH1A1GABRA5GRM5
SCHEMBL2073564 0.83 HPGDS (0.54) HPGDSWNT3AALDH1A1FYNACHE
SCHEMBL4393046 0.82 HPGDS (0.66) HPGDSACHE
SCHEMBL2071100 0.81 HPGDS (0.68) HPGDSWNT3AALDH1A1ACHE
SCHEMBL2070830 0.81 HPGDS (0.58) HPGDSWNT3AALDH1A1ACHEGABRA5
SCHEMBL2071060 0.81 HPGDS (0.55) HPGDSWNT3AALDH1A1GABRA5GRM5
SCHEMBL2070542 0.80 HPGDS (0.57) HPGDSWNT3AGABRA5METTL3GRM5
SCHEMBL2072845 0.80 HPGDS (0.66) HPGDSWNT3AUSP30
SCHEMBL2073448 0.80 HPGDS (0.61) HPGDSWNT3AGABRA5USP30RET

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 984/4885WNT3A 3094/4885ALDH1A1 148/4885

“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.