SCHEMBL3678870

SCHEMBL3678870

C=CCN(C)CC=CCOc1ccc(CC(=O)c2ccc(Br)cc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 16/20 0.58
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PYCR1 P32322 1/20 0.39
PPARD Q03181 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
SCHEMBL3678869 1.00 LSS (0.58) LSSMEN1KMT2APYCR1PPARD
SCHEMBL3700933 0.86 LSS (0.71) LSSMEN1KMT2A
SCHEMBL7684578 0.86 LSS (0.71) LSSMEN1KMT2A
SCHEMBL3675144 0.84 LSS (0.78) LSSMEN1KMT2APYCR1PPARD
SCHEMBL3675142 0.84 LSS (0.78) LSSMEN1KMT2APYCR1PPARD
SCHEMBL8046114 0.82 PPARD (0.44) LSSPPARD
SCHEMBL8903864 0.82 PPARD (0.44) LSSPPARD
SCHEMBL8047705 0.81 PPARD (0.38) LSSPPARD
SCHEMBL7687517 0.80 LSS (0.66) LSSMEN1KMT2A
SCHEMBL7687514 0.80 LSS (0.66) LSSMEN1KMT2A

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-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
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 2247/4885MEN1 4176/4885KMT2A 1512/4885

“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.