SCHEMBL6285915

SCHEMBL6285915

O=[N+]([O-])c1ccc(OCC2(O)CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
ADRB1 P08588 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
MAOB P27338 2/20 0.41
AOC3 Q16853 1/20 0.41

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
SCHEMBL3860603 0.78 KCNJ1 (0.49) MAPTALDH1A1LMNAADRB1SIRT6
SCHEMBL10345075 0.77 DRD2 (0.50) ALDH1A1KMT2A
SCHEMBL5238412 0.77 SSTR5 (0.39) LMNA
SCHEMBL2565915 0.75 PTGS2 (0.51) MAPTALDH1A1PKMKMT2APTGS2
SCHEMBL6283441 0.75 FAAH (0.57) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL23410201 0.73 ADRB1 (0.45) MAPTKDM4EALDH1A1TDP1BCL9
SCHEMBL6287099 0.72 KCNJ1 (0.68) MAPTKDM4EALDH1A1TDP1
SCHEMBL9211504 0.71 TDP1 (0.46) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL31177754 0.71 PTGS2 (0.43) KMT2APTGS2LMNAMAOBAOC3
SCHEMBL17481141 0.70 CES2 (0.51) MAPTALDH1A1BCL9CTNNB1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956046-B2 4-hydroxypiperidine derivatives having analgesic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20040176410-A1 4-hydroxpiperdine derivative with analgetic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1391452-A1 4-HYDROXPIPERIDINE DERIVATIVE WITH ANALGETIC ACTIVITY MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 EP 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-20040176410-A1 4-hydroxpiperdine derivative with analgetic activity HNMT, HDAC1, HDAC3 MAPT 4853/4885KDM4E 2438/4885ALDH1A1 416/4885

“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.