SCHEMBL2070537

SCHEMBL2070537

O=C(NC1CCN(c2nccnc2-c2ccccc2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.66
USP30 Q70CQ3 1/20 0.52
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
GABRA5 P31644 2/20 0.46
HTR7 P34969 2/20 0.45
GRM5 P41594 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAP4K4 O95819 1/20 0.44
PAK1 Q13153 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43

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
SCHEMBL2070034 0.88 HPGDS (0.62) HPGDSUSP30DRD2DRD4GABRA5
SCHEMBL2070224 0.87 HPGDS (0.70) HPGDSUSP30GABRA5GRM5MEN1
SCHEMBL2071746 0.86 HPGDS (0.63) HPGDSUSP30GABRA5GRM5KMT2A
SCHEMBL2071446 0.86 HPGDS (0.63) HPGDSUSP30DRD2DRD4GABRA5
SCHEMBL2070294 0.86 HPGDS (0.65) HPGDSUSP30DRD2DRD4GRM5
SCHEMBL2072035 0.85 HPGDS (0.59) HPGDSUSP30CKS1BSKP1SKP2
SCHEMBL2070530 0.85 HPGDS (0.66) HPGDSUSP30CKS1BSKP1SKP2
SCHEMBL2070565 0.85 HPGDS (0.63) HPGDSUSP30GABRA5GRM5MEN1
SCHEMBL2072456 0.85 HPGDS (0.68) HPGDSUSP30GRM5PAK1
SCHEMBL2073050 0.84 HPGDS (0.72) HPGDSUSP30DRD2DRD4GABRA5

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 4 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
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO 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 4416/4885CKS1B 2308/4885

“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.