SCHEMBL13930708

SCHEMBL13930708

C[C@H](CN(c1cccc(F)c1)S(=O)(=O)CC1CCCCC1)N1CCC(CC(=O)Nc2nnn[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ OPRM1 P35372 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL13930709 0.84 MAPT (0.42) MAPTLMNAOPRM1ALDH1A1RORC
SCHEMBL13931070 0.83 CCR5 (0.36) MAPTLMNAALDH1A1MEN1ALPL
SCHEMBL13930727 0.81 OPRM1 (0.44) OPRM1
SCHEMBL13930725 0.79 LMNA (0.40) MAPTLMNAPOLBMAPK1NAMPT
SCHEMBL13929244 0.77 PKM (0.46) OPRM1MEN1KMT2A
SCHEMBL13930773 0.77 OPRM1 (0.38) MAPTOPRM1ALDH1A1RORC
SCHEMBL13951540 0.74 OGA (0.43) OPRM1MEN1KMT2A
SCHEMBL13929265 0.73 PKM (0.42) OPRM1ALDH1A1MEN1KMT2A
SCHEMBL13952045 0.72 NAMPT (0.39) LMNAALDH1A1MEN1ALPLPOLB
SCHEMBL13952143 0.71 OPRM1 (0.39) OPRM1

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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
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 MAPT 2479/4885LMNA 3911/4885OPRM1 202/4885

“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.

Send feedback