SCHEMBL2777193

SCHEMBL2777193

CCC(F)(F)C1CCC(Oc2ccc3cc([C@]4(C)COC(=O)N4)ccc3c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
APP P05067 1/20 0.32
CYP2C9 P11712 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MMP13 P45452 5/20 0.31
MMP12 P39900 2/20 0.31
MMP14 P50281 2/20 0.31
LMNA P02545 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL2777198 1.00 MAOA (0.32) MAOAMAOBAPPCYP2C9HRH3
SCHEMBL2777194 1.00 MAOA (0.32) MAOAMAOBAPPCYP2C9HRH3
SCHEMBL2453431 1.00 MAOA (0.32) MAOAMAOBAPPCYP2C9HRH3
SCHEMBL2539726 0.93 MAOA (0.33) MAOAMAOBAPPCYP2C9MMP13
SCHEMBL2452384 0.93 MAOA (0.33) MAOAMAOBAPPCYP2C9MMP13
SCHEMBL2539718 0.93 MAOA (0.33) MAOAMAOBAPPCYP2C9MMP13
SCHEMBL2539715 0.93 MAOA (0.33) MAOAMAOBAPPCYP2C9MMP13
SCHEMBL2449799 0.90 APP (0.39) MAOAMAOBAPPCYP2C9HRH3
SCHEMBL2449033 0.90 APP (0.39) MAOAMAOBAPPCYP2C9HRH3
SCHEMBL2449031 0.90 APP (0.39) MAOAMAOBAPPCYP2C9HRH3

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-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 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 (2 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 MAOA 3924/4885MAOB 3559/4885APP 2542/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 MAOA 4183/4885MAOB 4219/4885APP 3785/4885

“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.