SCHEMBL2071545

SCHEMBL2071545

CC(C)(C)CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 12/20 0.84
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
WNT1 P04628 2/20 0.49
DYRK1A Q13627 2/20 0.49
HTR7 P34969 2/20 0.49
GABRA5 P31644 2/20 0.48
BUB1 O43683 1/20 0.48
CYP2C9 P11712 1/20 0.48
PRKACG P22612 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
ACSL5 Q9ULC5 1/20 0.48
STK24 Q9Y6E0 1/20 0.48

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
SCHEMBL2070457 0.91 HPGDS (1.00) HPGDSDRD2DRD4HTR7
SCHEMBL31580459 0.91 HPGDS (1.00) HPGDSDRD2DRD4HTR7
SCHEMBL2072024 0.91 HPGDS (0.75) HPGDSDRD2DRD4HTR7GABRA5
SCHEMBL2071531 0.90 HPGDS (0.77) HPGDSDRD2DRD4HTR7GABRA5
SCHEMBL2070678 0.89 HPGDS (0.75) HPGDSDRD2DRD4HTR7GABRA5
SCHEMBL2071480 0.88 HPGDS (0.76) HPGDSDRD2DRD4HTR7GABRA5
SCHEMBL2072404 0.87 HPGDS (0.72) HPGDSDRD2DRD4HTR7GABRA5
SCHEMBL2070370 0.87 HPGDS (0.78) HPGDSDRD2DRD4DYRK1AHTR7
SCHEMBL2072921 0.86 HPGDS (0.74) HPGDSDYRK1AHTR7GABRA5
SCHEMBL2069954 0.86 HPGDS (0.88) HPGDSDRD2DRD4

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 984/4885DRD2 2709/4885DRD4 3159/4885

“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.