SCHEMBL13952045

SCHEMBL13952045

O=C(CC1CCN([C@H]2CC(S(=O)(=O)CC3CCCCC3)c3cc(F)ccc32)CC1)Nc1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.39
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ DEGS1 O15121 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL13952046 0.85 ALDH1A1 (0.43) NAMPTPOLBKMT2ALMNASMN1; SMN2
SCHEMBL13931070 0.73 CCR5 (0.36) NAMPTPOLBMEN1ALPLKMT2A
SCHEMBL13930708 0.72 MAPT (0.38) NAMPTPOLBMEN1ALPLKMT2A
SCHEMBL13952150 0.67 ALDH1A1 (0.45) NAMPTPOLBKMT2ALMNASMN1; SMN2
SCHEMBL13952039 0.59 HTR2A (0.35) MEN1KMT2ALMNAKMORAB9A
SCHEMBL20852858 0.58 RAB9A (0.71) NAMPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL5308393 0.57 RAB9A (0.73) NAMPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL3704165 0.56 NAMPT (1.00) NAMPT
SCHEMBL31061469 0.56 KMT2A (0.58) POLBMEN1ALPLKMT2ASMN1; SMN2
SCHEMBL28035439 0.56 NPC1 (0.64) NAMPTMEN1KMT2ASMN1; SMN2RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — 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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 NAMPT 1755/4885POLB 1789/4885MEN1 4563/4885

“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.

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