SCHEMBL2073556

SCHEMBL2073556

COc1cccc(F)c1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.67
ACHE P22303 1/20 0.59
ALDH1A1 P00352 1/20 0.52
WNT3A P56704 1/20 0.51
SSTR5 P35346 3/20 0.50
CCR3 P51677 2/20 0.49
HTR7 P34969 1/20 0.49
MCHR1 Q99705 1/20 0.49

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
SCHEMBL2073241 0.92 HPGDS (0.75) HPGDSACHEALDH1A1CCR3HTR7
SCHEMBL2072602 0.91 HPGDS (0.66) HPGDSACHEALDH1A1WNT3ASSTR5
SCHEMBL2071100 0.91 HPGDS (0.68) HPGDSACHEALDH1A1WNT3ASSTR5
SCHEMBL2073023 0.90 HPGDS (0.67) HPGDSALDH1A1WNT3ASSTR5CCR3
SCHEMBL2070206 0.89 HPGDS (0.65) HPGDSACHEWNT3ASSTR5CCR3
SCHEMBL2073328 0.89 HPGDS (0.65) HPGDSSSTR5CCR3MCHR1
SCHEMBL2071806 0.89 HPGDS (0.65) HPGDSACHEALDH1A1WNT3ASSTR5
SCHEMBL4393046 0.88 HPGDS (0.66) HPGDSACHESSTR5CCR3MCHR1
SCHEMBL2073473 0.87 HPGDS (0.63) HPGDSALDH1A1SSTR5CCR3HTR7
SCHEMBL2070609 0.87 HPGDS (0.73) HPGDSSSTR5CCR3HTR7MCHR1

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 984/4885ACHE 1708/4885ALDH1A1 148/4885

“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.