SCHEMBL5039073

SCHEMBL5039073

C=CCN(C)CCOCCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
LSS P48449 2/20 0.39
FAAH O00519 1/20 0.39
CCR3 P51677 1/20 0.39
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.39
GRIN2B Q13224 1/20 0.39
HPGD P15428 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL5039272 0.95 LSS (0.42) ALDH1A1POLBLSSFAAHCCR3
SCHEMBL5035569 0.94 LSS (0.46) ALDH1A1POLBLSSFAAHCCR3
SCHEMBL5038804 0.86 LSS (0.43) ALDH1A1POLBLSSCCR3GFER
SCHEMBL5035561 0.86 LSS (0.53) ALDH1A1POLBLSSHPGDMEN1
SCHEMBL5036103 0.86 LSS (0.47) ALDH1A1POLBLSSCCR3GFER
SCHEMBL6450314 0.85 LSS (0.44) LSSFAAH
SCHEMBL5038807 0.82 LSS (0.57) ALDH1A1POLBLSSHPGDMEN1
SCHEMBL5045773 0.81 LSS (0.61) ALDH1A1POLBLSSGFERATM
SCHEMBL5035592 0.81 LSS (0.61) ALDH1A1POLBLSSHPGDSMN1; SMN2
SCHEMBL6448108 0.80 LSS (0.46) ALDH1A1LSSFAAHHPGDMEN1

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 ALDH1A1 1343/4885POLB 1769/4885LSS 2/4885

“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.