SCHEMBL5036103

SCHEMBL5036103

C=CCN(C)CCCCOCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.47
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
CCR3 P51677 1/20 0.38
GFER P55789 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38

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
SCHEMBL5038804 0.97 LSS (0.43) LSSALDH1A1POLBCCR3GFER
SCHEMBL5035569 0.92 LSS (0.46) LSSALDH1A1POLBCCR3GFER
SCHEMBL5039272 0.89 LSS (0.42) LSSALDH1A1POLBCCR3GFER
SCHEMBL5045773 0.88 LSS (0.61) LSSALDH1A1POLBGFERATM
SCHEMBL5035557 0.87 LSS (0.62) LSSPOLBMEN1KMT2A
SCHEMBL5039073 0.86 ALDH1A1 (0.40) LSSALDH1A1POLBCCR3GFER
SCHEMBL6449461 0.85 LSS (0.47) LSSALDH1A1HPGDMEN1KMT2A
SCHEMBL5038775 0.83 LSS (0.58) LSSALDH1A1POLBHPGDMEN1
SCHEMBL27515705 0.83 LSS (0.43) LSSCCR3
SCHEMBL6446568 0.82 LSS (0.43) 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 5 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
EP-1317432-A1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 US disclosed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO 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 2/4885ALDH1A1 1343/4885POLB 1769/4885

“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.