SCHEMBL5039272

SCHEMBL5039272

C=CCN(C)CCCOCCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.42
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
FAAH O00519 1/20 0.39
CCR3 P51677 1/20 0.38
GFER P55789 1/20 0.38
ATM Q13315 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
SCHEMBL5035569 0.97 LSS (0.46) LSSTSHRL3MBTL1ALDH1A1POLB
SCHEMBL5039073 0.95 ALDH1A1 (0.40) LSSALDH1A1POLBHDAC3HDAC4
SCHEMBL5038804 0.91 LSS (0.43) LSSTSHRL3MBTL1ALDH1A1POLB
SCHEMBL5036103 0.89 LSS (0.47) LSSTSHRL3MBTL1ALDH1A1POLB
SCHEMBL5038807 0.87 LSS (0.57) LSSALDH1A1POLBHPGDMEN1
SCHEMBL6448108 0.85 LSS (0.46) LSSALDH1A1FAAHHPGDMEN1
SCHEMBL5035592 0.84 LSS (0.61) LSSALDH1A1POLBHPGDLMNA
SCHEMBL5045773 0.84 LSS (0.61) LSSTSHRL3MBTL1ALDH1A1POLB
SCHEMBL6446770 0.82 LSS (0.47) LSSFAAH
SCHEMBL5035561 0.82 LSS (0.53) LSSALDH1A1POLBHPGDMEN1

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.