SCHEMBL2483263

SCHEMBL2483263

CC1(C)OCC(N)(c2ccc3cc(Oc4ccc(OCc5ccccc5)cc4)ccc3c2)CO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.44
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAOB P27338 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LCK P06239 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 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
SCHEMBL2481675 0.88 MMP2 (0.38) ALOX5MMP2MMP13RAB9ANPC1
SCHEMBL2485089 0.81 LTA4H (0.44)
SCHEMBL2480374 0.75 ALOX5 (0.46) ALOX5MMP2MMP13RAB9ANPC1
SCHEMBL10605167 0.72 ALOX5 (0.76) ALOX5RAB9ANPC1MAOBSMN1; SMN2
SCHEMBL4536162 0.71 LMNA (0.53) ALOX5MMP2MMP13RAB9AMAOB
SCHEMBL2480228 0.70 PTPN1 (0.41) ALOX5MMP2RAB9ANPC1MAOB
SCHEMBL1228633 0.70 PTGS1 (0.51) ALOX5MMP2MMP13RAB9ANPC1
SCHEMBL12614689 0.69 MAOB (0.58) MMP2MMP13RAB9AMAOBSMN1; SMN2
SCHEMBL22167216 0.69 MMP2 (0.51) MMP2MMP13RAB9AMAOBSMN1; SMN2
SCHEMBL2450106 0.69 TLR4 (0.38) MMP2MMP13SMN1; SMN2MAPTL3MBTL1

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-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 ALOX5 2821/4885MMP2 4777/4885MMP13 4787/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 ALOX5 3814/4885MMP2 4641/4885MMP13 4834/4885

“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.