SCHEMBL3669504

SCHEMBL3669504

C=CCN(C)CC=CCOc1ccc(C(=O)c2ccccc2C#N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ACHE P22303 2/20 0.38
CYP11B1 P15538 1/20 0.34
EZH2 Q15910 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
LMNA P02545 1/20 0.33
AR P10275 2/20 0.33

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
SCHEMBL3669501 1.00 LSS (0.46) LSSKMT2AMEN1ACHECYP11B1
SCHEMBL3676960 0.83 LSS (0.52) LSSKMT2AMEN1ACHEALDH1A1
SCHEMBL3676963 0.83 LSS (0.52) LSSKMT2AMEN1ACHEALDH1A1
SCHEMBL8035588 0.81 EZH2 (0.35) KMT2AMEN1ACHEEZH2LMNA
SCHEMBL7687539 0.80 LSS (0.53) LSSKMT2AMEN1ACHEALDH1A1
SCHEMBL7687535 0.80 LSS (0.53) LSSKMT2AMEN1ACHEALDH1A1
SCHEMBL3700933 0.80 LSS (0.71) LSSKMT2AMEN1
SCHEMBL7684578 0.80 LSS (0.71) LSSKMT2AMEN1
SCHEMBL7687514 0.74 LSS (0.66) LSSKMT2AMEN1
SCHEMBL7687517 0.74 LSS (0.66) LSSKMT2AMEN1

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-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 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-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 LSS 2247/4885KMT2A 1512/4885MEN1 4176/4885

“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.