SCHEMBL5038804

SCHEMBL5038804

C=CCN(C)CCCOCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.43
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
CCR3 P51677 1/20 0.39
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5036103 0.97 LSS (0.47) LSSTSHRL3MBTL1ALDH1A1POLB
SCHEMBL5039272 0.91 LSS (0.42) LSSTSHRL3MBTL1ALDH1A1POLB
SCHEMBL5035569 0.89 LSS (0.46) LSSTSHRL3MBTL1ALDH1A1POLB
SCHEMBL5039073 0.86 ALDH1A1 (0.40) LSSALDH1A1POLBCCR3GFER
SCHEMBL5038775 0.86 LSS (0.58) LSSALDH1A1POLBHPGDMEN1
SCHEMBL6446568 0.85 LSS (0.43) LSSALDH1A1HPGDMEN1KMT2A
SCHEMBL5045773 0.85 LSS (0.61) LSSTSHRL3MBTL1ALDH1A1POLB
SCHEMBL5035557 0.83 LSS (0.62) LSSPOLBMEN1KMT2A
SCHEMBL27499636 0.82 LSS (0.40) LSSCCR3
SCHEMBL6449461 0.82 LSS (0.47) LSSALDH1A1HPGDMEN1KMT2A

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
EP-1317432-B1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 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-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885TSHR 4255/4885L3MBTL1 2291/4885

“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.