SCHEMBL6283441

SCHEMBL6283441

O=[N+]([O-])c1ccc(OCC2(O)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.57
ACHE P22303 2/20 0.57
MGLL Q99685 2/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 3/20 0.52
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL10345184 0.85 OPRL1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1
Bromide SCHEMBL10345274 0.84 OPRL1 (0.55) ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL10345227 0.83 CCR3 (0.60) FAAHACHEALDH1A1KDM4ESIGMAR1
SCHEMBL2341863 0.82 SSTR5 (0.60) ALDH1A1SMN1; SMN2KDM4ECHRM2CHRM3
SCHEMBL2342807 0.80 CYP3A4 (0.57) ALDH1A1SMN1; SMN2
SCHEMBL2336799 0.78 MEN1 (0.55) FAAHALDH1A1LMNAMAPT
SCHEMBL11154544 0.78 SIGMAR1 (0.52) FAAHACHEMGLLALDH1A1SMN1; SMN2
SCHEMBL10345158 0.77 CYP3A4 (0.50) ALDH1A1KDM4ESIGMAR1
SCHEMBL1682089 0.77 ALDH1A1 (0.55) MGLLALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5060914 0.77 ALDH1A1 (0.80) FAAHACHEMGLLALDH1A1SMN1; SMN2

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 FAAH 591/4885ACHE 575/4885MGLL 4316/4885

“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.