SCHEMBL2071663

SCHEMBL2071663

O=C(NC1CN(c2cnc3ccccc3n2)C1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.56
HCRTR2 O43614 7/20 0.56
HPGDS O60760 5/20 0.56
USP30 Q70CQ3 1/20 0.45
MAP4K4 O95819 4/20 0.44
PDE10A Q9Y233 1/20 0.43
GRM4 Q14833 1/20 0.41
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
SCHEMBL2070459 0.91 HPGDS (0.64) HCRTR1HCRTR2HPGDSUSP30MAP4K4
SCHEMBL1365780 0.90 HCRTR1 (0.56) HCRTR1HCRTR2HPGDSMAP4K4PDE10A
SCHEMBL2070316 0.89 HCRTR1 (0.53) HCRTR1HCRTR2HPGDSUSP30MAP4K4
SCHEMBL2070314 0.89 HCRTR1 (0.53) HCRTR1HCRTR2HPGDSUSP30MAP4K4
SCHEMBL2070318 0.89 HCRTR1 (0.53) HCRTR1HCRTR2HPGDSUSP30MAP4K4
SCHEMBL14191078 0.83 HPGDS (0.67) HPGDSUSP30MAP4K4DRD2DRD4
SCHEMBL2071576 0.83 HPGDS (0.54) HCRTR1HCRTR2HPGDSUSP30MAP4K4
SCHEMBL12776510 0.81 HPGDS (0.64) HPGDSUSP30MAP4K4
SCHEMBL2073644 0.80 HPGDS (0.68) HPGDSUSP30DRD2DRD4
SCHEMBL1543340 0.80 HPGDS (0.74) HPGDSUSP30MAP4K4

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 HCRTR1 2126/4885HCRTR2 2788/4885HPGDS 984/4885

“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.