SCHEMBL12775693

SCHEMBL12775693

CC(C)(C)CC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
EPHX1 P07099 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
APLNR P35414 1/20 0.37
DGAT1 O75907 1/20 0.35
CTSK P43235 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24261262 0.86 CA1 (0.43) TDP1CA1CA2CA7MEN1
SCHEMBL24990879 0.85 POLB (0.42) POLBEPHX1MEN1KMT2AHTT
SCHEMBL17702010 0.83 TDP1 (0.38) TDP1CA1CA2CA7MEN1
SCHEMBL23331500 0.83 TDP1 (0.38) EPHX1TDP1CA1CA2CA7
SCHEMBL19337993 0.83 APLNR (0.39) TDP1CA1CA2CA7MEN1
SCHEMBL14864527 0.82 POLB (0.46) POLBEPHX1MEN1GAAKMT2A
SCHEMBL21261831 0.82 TDP1 (0.42) TDP1CA1CA2CA7MEN1
SCHEMBL19400336 0.82 MAOA (0.39) TDP1CA1CA2CA7MEN1
SCHEMBL18611972 0.82 POLB (0.40) POLBEPHX1TDP1MEN1KMT2A
SCHEMBL17525437 0.82 MEN1 (0.39) TDP1CA1CA2CA7MEN1

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 POLB 2232/4885EPHX1 1424/4885TDP1 2502/4885

“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.