SCHEMBL2070830

SCHEMBL2070830

COc1ccc(C(C)N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.58
MCHR1 Q99705 2/20 0.49
WNT3A P56704 5/20 0.48
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
DRD4 P21917 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ACKR3 P25106 1/20 0.43
GABRA5 P31644 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42

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
SCHEMBL2070083 0.91 HPGDS (0.59) HPGDSWNT3ATLR9TLR8TLR7
SCHEMBL2072046 0.90 HPGDS (0.60) HPGDSMCHR1WNT3ADRD4ACHE
SCHEMBL2070384 0.89 HPGDS (0.62) HPGDSMCHR1WNT3ADRD4ACKR3
SCHEMBL2071728 0.89 HPGDS (0.61) HPGDSMCHR1WNT3ATLR9TLR8
SCHEMBL2072849 0.89 HPGDS (0.60) HPGDSMCHR1WNT3AALDH1A1GABRA5
SCHEMBL2070416 0.89 HPGDS (0.60) HPGDSMCHR1WNT3ADRD4ACKR3
SCHEMBL2071686 0.87 HPGDS (0.65) HPGDSMCHR1WNT3ADRD4ACKR3
SCHEMBL2071776 0.86 HPGDS (0.58) HPGDSMCHR1WNT3ADRD4ALDH1A1
SCHEMBL2072716 0.85 HPGDS (0.61) HPGDSWNT3AALDH1A1GABRA5
SCHEMBL2071441 0.85 HPGDS (0.68) HPGDSWNT3ADRD4GABRA5

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 HPGDS 984/4885MCHR1 3698/4885WNT3A 3094/4885

“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.