SCHEMBL2070138

SCHEMBL2070138

CCOC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.64
USP30 Q70CQ3 4/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ATM Q13315 1/20 0.49
GABRA5 P31644 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAP4K4 O95819 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL347402 0.90 HPGDS (0.50) HPGDSUSP30ALDH1A1NPC1GABRA5
SCHEMBL2073024 0.89 HPGDS (0.54) HPGDSALDH1A1MAPTKDM4ENPC1
SCHEMBL2071537 0.86 HPGDS (0.56) HPGDSUSP30ALDH1A1MAPTKDM4E
SCHEMBL2071800 0.84 HPGDS (0.64) HPGDSUSP30ALDH1A1MAPTKDM4E
SCHEMBL2072958 0.84 HPGDS (0.68) HPGDSUSP30GABRA5DRD2DRD4
SCHEMBL2073050 0.83 HPGDS (0.72) HPGDSUSP30GABRA5DRD2DRD4
SCHEMBL2070076 0.82 HPGDS (0.72) HPGDSUSP30GABRA5DRD2DRD4
SCHEMBL2072921 0.82 HPGDS (0.74) HPGDSUSP30GABRA5MAP4K4HTR7
SCHEMBL1543099 0.82 HPGDS (0.58) HPGDSALDH1A1GABRA5HPGDHSD17B10
SCHEMBL2071480 0.81 HPGDS (0.76) HPGDSUSP30GABRA5DRD2DRD4

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 984/4885USP30 4416/4885ALDH1A1 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.