SCHEMBL2073485

SCHEMBL2073485

CCCC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(OC)c3)nc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.70
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PRKAA2 P54646 2/20 0.46
DRD4 P21917 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
SCHEMBL2071379 0.88 HPGDS (0.54) HPGDSALDH1A1MAPTHSD17B10NPC1
SCHEMBL2072958 0.87 HPGDS (0.68) HPGDSDRD4USP30
SCHEMBL5053993 0.86 HPGDS (0.75) HPGDSALDH1A1MAPTHPGDHSD17B10
SCHEMBL14190102 0.86 HPGDS (0.75) HPGDSALDH1A1MAPTHPGDHSD17B10
SCHEMBL2071556 0.82 HPGDS (1.00) HPGDSALDH1A1MAPTHPGDHSD17B10
SCHEMBL2070758 0.81 HPGDS (0.54) HPGDSHSD17B10TSHRUSP2PRKAA2
SCHEMBL16495764 0.81 HPGDS (0.68) HPGDSALDH1A1MAPTHPGDTSHR
SCHEMBL2073969 0.80 HPGDS (0.72) HPGDSPRKAA2DRD4KMT2A
SCHEMBL2070158 0.78 HPGDS (0.71) HPGDSPRKAA2DRD4
SCHEMBL16495949 0.76 HPGDS (0.57) HPGDSALDH1A1HPGDHSD17B10SMN1; SMN2

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 984/4885ALDH1A1 148/4885MAPT 1563/4885

“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.