SCHEMBL4805237

SCHEMBL4805237

CCN(CC#CC1CCC(N(C)C(=O)Nc2ccc(Cl)cc2)CC1)CCO

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.57
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
JAK1 P23458 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL4805242 1.00 LSS (0.57) LSSALDH1A1LMNAPTBP1ATM
SCHEMBL7646287 0.88 LSS (0.48) LSSALDH1A1LMNAPTBP1TSHR
SCHEMBL4797702 0.85 LSS (0.55) LSSALDH1A1LMNAPTBP1ATM
SCHEMBL4797696 0.85 LSS (0.55) LSSALDH1A1LMNAPTBP1ATM
SCHEMBL4804351 0.85 LSS (0.59) LSSNPC1KMT2AMEN1MCHR1
SCHEMBL4804360 0.85 LSS (0.59) LSSNPC1KMT2AMEN1MCHR1
SCHEMBL27581072 0.83 LSS (0.48) LSSALDH1A1LMNAPTBP1ATM
SCHEMBL4804947 0.82 LSS (0.81) LSS
SCHEMBL4804950 0.82 LSS (0.81) LSS
SCHEMBL27581073 0.75 LSS (0.42) LSSALDH1A1LMNAPTBP1ATM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885ALDH1A1 2260/4885LMNA 2735/4885

“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.