SCHEMBL2451774

SCHEMBL2451774

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.33
CYP2D6 P10635 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31
PTPN1 P18031 1/20 0.31
MMP12 P39900 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR7 P34969 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
SCHEMBL2451777 1.00 HRH3 (0.33) HRH3CYP2D6MAOAMAOBKCNH2
SCHEMBL2446538 0.90 LMNA (0.33) HRH3CYP2D6MAOAMAOBLMNA
SCHEMBL2450184 0.90 LMNA (0.33) HRH3CYP2D6MAOAMAOBLMNA
SCHEMBL2446536 0.90 LMNA (0.33) HRH3CYP2D6MAOAMAOBLMNA
SCHEMBL2446539 0.90 LMNA (0.33) HRH3CYP2D6MAOAMAOBLMNA
SCHEMBL2779149 0.86 CCR4 (0.38) HRH3MAOAMAOBKCNH2LMNA
SCHEMBL2776070 0.86 CCR4 (0.38) HRH3MAOAMAOBKCNH2LMNA
SCHEMBL2779153 0.86 CCR4 (0.38) HRH3MAOAMAOBKCNH2LMNA
SCHEMBL2776386 0.84 LMNA (0.35) HRH3MAOAMAOBKCNH2LMNA
SCHEMBL2776239 0.84 LMNA (0.35) HRH3MAOAMAOBKCNH2LMNA

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 HRH3 613/4885CYP2D6 4193/4885MAOA 3924/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 HRH3 995/4885CYP2D6 4843/4885MAOA 4183/4885

“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.