SCHEMBL2071498

SCHEMBL2071498

CCn1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.66
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ SSTR5 P35346 6/20 0.49
▸ PRKAA2 P54646 2/20 0.49
▸ PRKAB2 O43741 1/20 0.49
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PRKAG3 Q9UGI9 1/20 0.49
▸ PRKAG2 Q9UGJ0 1/20 0.49
▸ PRKAB1 Q9Y478 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ CCR3 P51677 1/20 0.49
▸ MLNR O43193 2/20 0.48
▸ SLC6A12 P48065 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ SIGMAR1 Q99720 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
SCHEMBL2070755 0.94 HPGDS (0.64) HPGDSKMT2AMEN1DRD2DRD4
SCHEMBL5055540 0.91 HPGDS (0.65) HPGDSKMT2AMEN1DRD2DRD4
SCHEMBL2072614 0.91 HPGDS (0.69) HPGDSKMT2AMEN1DRD2DRD4
SCHEMBL2070963 0.87 HPGDS (0.62) HPGDSKMT2AMEN1DRD2DRD4
SCHEMBL2072938 0.86 HPGDS (0.65) HPGDSDRD2DRD4SSTR5PRKAA2
SCHEMBL13610005 0.86 HPGDS (0.75) HPGDSKMT2ADRD2DRD4PRKAA2
SCHEMBL2073491 0.86 HPGDS (0.75) HPGDSDRD2DRD4SSTR5PRKAA2
SCHEMBL2070944 0.86 HPGDS (0.69) HPGDSDRD2DRD4SSTR5PRKAA2
SCHEMBL2073075 0.85 HPGDS (0.71) HPGDSDRD2DRD4SSTR5PRKAA2
SCHEMBL2070386 0.85 HPGDS (0.64) HPGDSKMT2AMEN1DRD2DRD4

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 984/4885KMT2A 2987/4885MEN1 2003/4885

“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.

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