SCHEMBL2071446

SCHEMBL2071446

N#Cc1nccnc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.63
USP30 Q70CQ3 4/20 0.52
GRM5 P41594 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
MAP4K4 O95819 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GABRA5 P31644 2/20 0.42
PAK1 Q13153 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 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
SCHEMBL2073405 0.89 HPGDS (0.62) HPGDSUSP30GRM5ADORA3GABRA5
SCHEMBL2070537 0.86 HPGDS (0.66) HPGDSUSP30GRM5MAP4K4GABRA5
SCHEMBL2071109 0.85 HPGDS (0.59) HPGDSUSP30GRM5ADORA3MAP4K4
SCHEMBL2071582 0.84 HPGDS (0.57) HPGDSUSP30GRM5MAP4K4
SCHEMBL2073332 0.84 HPGDS (0.59) HPGDSUSP30GRM5ADORA3PDE10A
SCHEMBL2070224 0.84 HPGDS (0.70) HPGDSUSP30GRM5MAP4K4GABRA5
SCHEMBL2071746 0.84 HPGDS (0.63) HPGDSUSP30GRM5MAP4K4GABRA5
SCHEMBL2070294 0.84 HPGDS (0.65) HPGDSUSP30GRM5MAP4K4DRD2
SCHEMBL2073800 0.84 HPGDS (0.56) HPGDSUSP30GRM5ADORA3MAP4K4
SCHEMBL2071296 0.83 HPGDS (0.57) HPGDSUSP30GRM5ADORA3PDE10A

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 4416/4885GRM5 3073/4885

“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.