SCHEMBL3679448

SCHEMBL3679448

C=CCN(C)CC=CCOc1ccc(CC(=O)CCC=C(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.40
MTNR1A P48039 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
PTGES O14684 2/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL3679440 1.00 LSS (0.40) LSSMTNR1ATRPV1PTGESLTA4H
SCHEMBL8904428 0.83 PTGES (0.36) MTNR1ATRPV1PTGES
SCHEMBL8045817 0.83 PTGES (0.36) MTNR1ATRPV1PTGES
SCHEMBL8049490 0.83 PTGES (0.34) MTNR1ATRPV1PTGES
SCHEMBL7687916 0.79 LSS (0.43) LSSMTNR1ATRPV1PTGES
SCHEMBL7681418 0.79 LSS (0.41) LSSMTNR1ATRPV1PTGES
SCHEMBL7681424 0.79 LSS (0.41) LSSMTNR1ATRPV1PTGES
SCHEMBL7687915 0.79 LSS (0.43) LSSMTNR1ATRPV1PTGES
SCHEMBL3678869 0.78 LSS (0.58) LSS
SCHEMBL3678870 0.78 LSS (0.58) LSS

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 7 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-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US 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 2247/4885MTNR1A 1685/4885TRPV1 4615/4885

“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.