SCHEMBL3697652

SCHEMBL3697652

CC(C)Cc1ccc2oc(-c3ccc(CN4CCC4)cc3)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.68
S1PR3 Q99500 2/20 0.68
ACHE P22303 2/20 0.47
CHKA P35790 1/20 0.42
MAOB P27338 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL1602725 0.84 S1PR1 (0.81) S1PR1S1PR3MAOB
SCHEMBL3812511 0.82 S1PR1 (0.69) S1PR1S1PR3ACHEHRH3
SCHEMBL1601177 0.81 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL12730038 0.81 S1PR1 (0.69) S1PR1S1PR3ACHECHKA
SCHEMBL12729899 0.78 S1PR1 (0.72) S1PR1S1PR3ACHECHKANPC1
SCHEMBL12729542 0.77 S1PR1 (0.72) S1PR1S1PR3ACHEMAOBNPC1
SCHEMBL1601212 0.76 S1PR1 (0.56) S1PR1S1PR3MAOBMAOA
SCHEMBL20013868 0.72 HRH3 (0.65) HRH4HRH3
SCHEMBL1602626 0.71 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL30596572 0.70 HRH3 (0.69) HRH4HRH3

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
JP-2010522162-A 2010-07-01 JP claimed
EP-2121648-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX Pharmaceuticals, Inc. (US) 2009-11-25 EP claimed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO claimed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 5/4885ACHE 2843/4885

“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.