SCHEMBL1281271

SCHEMBL1281271

COC(=O)C1CN(Cc2ccc(Br)c(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
S1PR5 Q9H228 3/20 0.47
ALDH1A1 P00352 2/20 0.46
S1PR1 P21453 11/20 0.44
RAB9A P51151 1/20 0.43
FAAH O00519 4/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL24770944 0.88 KDM4E (0.65) KDM4EALDH1A1FAAHHTTSMN1; SMN2
SCHEMBL1602490 0.88 KDM4E (0.65) KDM4ES1PR5ALDH1A1SMN1; SMN2
SCHEMBL10077200 0.85 S1PR5 (0.47) KDM4ES1PR5ALDH1A1S1PR1RAB9A
SCHEMBL14421962 0.84 S1PR5 (0.60) S1PR5S1PR1
SCHEMBL1281240 0.82 S1PR5 (0.46) KDM4ES1PR5ALDH1A1S1PR1RAB9A
SCHEMBL10077188 0.82 S1PR5 (0.46) KDM4ES1PR5ALDH1A1S1PR1RAB9A
SCHEMBL12269427 0.81 ALDH1A1 (0.56) KDM4ES1PR5ALDH1A1S1PR1FAAH
SCHEMBL18491449 0.80 DRD4 (0.43) KDM4ES1PR5ALDH1A1HTT
SCHEMBL1688739 0.79 S1PR5 (0.44) S1PR5S1PR1
SCHEMBL10077194 0.79 MAOB (0.56) KDM4EALDH1A1FAAHHTTSMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
US-20120088749-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-20120088749-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-20120088749-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-8080542-B2 S1P receptor modulating compounds and use thereof AMGEN, INC. (US) 2011-12-20 US disclosed
US-8080542-B2 S1P receptor modulating compounds and use thereof AMGEN, INC. (US) 2011-12-20 US disclosed
US-8080542-B2 S1P receptor modulating compounds and use thereof AMGEN, INC. (US) 2011-12-20 US disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
EP-2121648-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
US-20090082331-A1 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF AMGEN INC. 2009-03-26 US disclosed
US-20090082331-A1 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF AMGEN INC. 2009-03-26 US disclosed
US-20090082331-A1 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF AMGEN INC. 2009-03-26 US disclosed
WO-2009038759-A2 1-(4-(BENZYLBENZAMID0) -BENZYL) AZETIDINE-3-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS SLP RECEPTOR MODULATORS FOR THE TREATMENT OF IMMUNE DISORDERS AMGEN INC. (US) 2009-03-26 WO disclosed
WO-2009038759-A2 1-(4-(BENZYLBENZAMID0) -BENZYL) AZETIDINE-3-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS SLP RECEPTOR MODULATORS FOR THE TREATMENT OF IMMUNE DISORDERS AMGEN INC. (US) 2009-03-26 WO disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 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 (3 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 KDM4E 1855/4885S1PR5 2/4885ALDH1A1 2501/4885
US-20090082331-A1 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF S1PR1, S1PR4, S1PR2 KDM4E 1628/4885S1PR5 4/4885ALDH1A1 3108/4885
US-20120088749-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR4, S1PR2 KDM4E 1229/4885S1PR5 4/4885ALDH1A1 2883/4885

“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.