SCHEMBL1662324

SCHEMBL1662324

Fc1cc(C2OCCCO2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.50
KCNH2 Q12809 2/20 0.50
KDM1B Q8NB78 1/20 0.50
RCOR1 Q9UKL0 1/20 0.41
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL24216109 0.93 KDM1A (0.53) KDM1AKCNH2KDM1BRCOR1CYP11B1
SCHEMBL6882198 0.83 CYP11B1 (0.41) KDM1ACYP11B1CYP11B2MEN1KMT2A
SCHEMBL13578617 0.79 CYP11B1 (0.39) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL21910589 0.79 CYP11B1 (0.39) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL3711765 0.78 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL21237810 0.76 CYP11B1 (0.63) CYP11B1CYP11B2
SCHEMBL31571444 0.76 KDM1A (0.46) KDM1AKCNH2KDM1BRCOR1ABCC9
SCHEMBL12419933 0.76 KDM1A (0.44) KDM1AKCNH2KDM1BRCOR1ABCC9
SCHEMBL12419934 0.76 KDM1A (0.44) KDM1AKCNH2KDM1BRCOR1ABCC9
SCHEMBL12609611 0.76 KDM1A (0.55) KDM1AKCNH2KDM1BRCOR1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154780-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF S1PR1, S1PR5, S1PR2 KDM1A 2014/4885KCNH2 1285/4885KDM1B 2269/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 KDM1A 2039/4885KCNH2 1288/4885KDM1B 2297/4885

“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.