SCHEMBL2454096

SCHEMBL2454096

C[C@](N)(CO)c1ccc2cc(Oc3cccc(Cl)c3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
ABL1 P00519 1/20 0.40
PKM P14618 1/20 0.40
AR P10275 1/20 0.39
WDR5 P61964 1/20 0.39
POLB P06746 2/20 0.39
RHEB Q15382 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL2777104 1.00 MAOB (0.41) MAOBABL1PKMARWDR5
SCHEMBL2449797 0.87 AR (0.42) MAOBABL1PKMARPOLB
SCHEMBL2774910 0.87 MAPK14 (0.41) MAOBNPC1RAB9ASLC6A4HTR2A
SCHEMBL2451241 0.87 MAPK14 (0.41) MAOBNPC1RAB9ASLC6A4HTR2A
SCHEMBL2778537 0.83 CYP2C9 (0.39) MAOBPOLBCYP2C9NPC1RAB9A
SCHEMBL2449956 0.83 CYP2C9 (0.39) MAOBPOLBCYP2C9NPC1RAB9A
SCHEMBL2451540 0.82 KIF11 (0.46) MAOBPKMPOLBLMNAMAPT
SCHEMBL2778490 0.82 KIF11 (0.46) MAOBPKMPOLBLMNAMAPT
SCHEMBL2451942 0.82 SOS1 (0.45) SLC6A4HTR2AKCNH2CHEK2
SCHEMBL2778715 0.82 SOS1 (0.45) SLC6A4HTR2AKCNH2CHEK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
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
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO 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 MAOB 3559/4885ABL1 3011/4885PKM 2128/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 MAOB 4219/4885ABL1 4414/4885PKM 3614/4885

“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.