SCHEMBL2071109

SCHEMBL2071109

Cc1ccc(C#N)c(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.59
USP30 Q70CQ3 2/20 0.49
PDE10A Q9Y233 2/20 0.47
GABRA5 P31644 4/20 0.45
MAP4K4 O95819 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
RET P07949 1/20 0.44
GRM5 P41594 2/20 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
SCHEMBL2073124 0.93 HPGDS (0.51) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL2071296 0.90 HPGDS (0.57) HPGDSUSP30PDE10AGABRA5ADORA3
SCHEMBL2071279 0.90 HPGDS (0.61) HPGDSUSP30GABRA5MAP4K4ADORA3
SCHEMBL2073405 0.89 HPGDS (0.62) HPGDSUSP30GABRA5ADORA3RET
SCHEMBL2073348 0.89 HPGDS (0.60) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL2073833 0.88 HPGDS (0.55) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL2073092 0.88 HPGDS (0.58) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL2072753 0.87 HPGDS (0.64) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL13572979 0.86 HPGDS (0.45) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL16496810 0.86 HPGDS (0.45) HPGDSUSP30PDE10AGABRA5MAP4K4

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 4416/4885PDE10A 777/4885

“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.