SCHEMBL2072265

SCHEMBL2072265

Cn1c(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.65
▸ MCHR1 Q99705 6/20 0.59
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ PRKAA2 P54646 2/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47
▸ PRKAG2 Q9UGJ0 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ HTR7 P34969 3/20 0.46
▸ CCR3 P51677 2/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ SLC6A12 P48065 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ SSTR5 P35346 1/20 0.44

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
SCHEMBL2072654 0.86 HPGDS (0.64) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2071724 0.84 HPGDS (0.68) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2071633 0.84 HPGDS (0.68) HPGDSMCHR1DRD2DRD4PRKAA2
SCHEMBL13610005 0.84 HPGDS (0.75) HPGDSMCHR1DRD2DRD4PRKAA2
SCHEMBL2072961 0.84 HPGDS (0.67) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2071396 0.83 HPGDS (0.62) HPGDSMCHR1DRD2DRD4PRKAA2
SCHEMBL2071771 0.83 HPGDS (0.64) HPGDSMCHR1DRD2DRD4PRKAA2
SCHEMBL2071480 0.83 HPGDS (0.76) HPGDSDRD2DRD4HTR7SSTR5
SCHEMBL2072598 0.83 HPGDS (0.63) HPGDSMCHR1DRD2DRD4PRKAA2
SCHEMBL2072255 0.82 HPGDS (0.70) HPGDSMCHR1DRD2DRD4PRKAA2

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 984/4885MCHR1 3698/4885DRD2 2709/4885

“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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