SCHEMBL12776296

SCHEMBL12776296

CC(C)CN1CCC(C(C)(C)C)CCC1=O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.55
PIK3CD O00329 2/20 0.54
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL13226889 0.81 RAB9A (0.55) GFERRAB9ANPC1MEN1KMT2A
SCHEMBL1224649 0.80 RAB9A (0.53) GFERRAB9ANPC1MEN1KMT2A
SCHEMBL12776290 0.79 RAB9A (0.52) GFERRAB9ANPC1MEN1KMT2A
SCHEMBL12776319 0.76 RAB9A (0.50) GFERRAB9ANPC1MEN1KMT2A
SCHEMBL12844032 0.75 PIK3CD (0.56) GFERPIK3CDRAB9ANPC1L3MBTL1
SCHEMBL12776298 0.75 RAB9A (0.66) GFERRAB9ANPC1MEN1KMT2A
SCHEMBL12776391 0.73 RAB9A (0.53) GFERRAB9ANPC1MEN1KMT2A
SCHEMBL425355 0.71 TSHR (0.43) PIK3CDMEN1KMT2AL3MBTL1CYP2D6
SCHEMBL1303006 0.71 PIK3CD (1.00) PIK3CDMEN1KMT2ACYP2D6
SCHEMBL2755782 0.70 PIK3CD (0.88) PIK3CDKMT2AL3MBTL1CYP2D6HRH3

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 GFER 1501/4885PIK3CD 2152/4885RAB9A 1980/4885

“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.