SCHEMBL5053993

SCHEMBL5053993

COc1cccc(-c2ccc(C(=O)NC3CCN(C)CC3)cn2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.75
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
USP30 Q70CQ3 2/20 0.51
EGLN1 Q9GZT9 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
ATR Q13535 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GABRA5 P31644 1/20 0.49

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
SCHEMBL14190102 0.92 HPGDS (0.75) HPGDSMAPTTHRBRXFP1ALDH1A1
SCHEMBL16495764 0.87 HPGDS (0.68) HPGDSMAPTTHRBRXFP1ALDH1A1
SCHEMBL12775215 0.86 HPGDS (0.58) HPGDSALDH1A1USP30EGLN1NPC1
SCHEMBL2073485 0.86 HPGDS (0.70) HPGDSMAPTTHRBRXFP1ALDH1A1
SCHEMBL2071556 0.86 HPGDS (1.00) HPGDSMAPTALDH1A1HPGDALOX15
SCHEMBL16495443 0.85 HPGDS (0.62) HPGDSEGLN1
SCHEMBL2072921 0.85 HPGDS (0.74) HPGDSUSP30ATRGABRA5
SCHEMBL2069780 0.85 HPGDS (0.69) HPGDSUSP30EGLN1NPC1RAB9A
SCHEMBL2073969 0.84 HPGDS (0.72) HPGDSKMT2AMEN1DRD4
SCHEMBL2070158 0.81 HPGDS (0.71) HPGDSDRD4

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 3 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
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 984/4885MAPT 1563/4885THRB 3138/4885

“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.