SCHEMBL3555541

SCHEMBL3555541

CC(C)(C)c1ccc(N2CCN(c3ccc(C=O)cc3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 7/20 0.44
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.39
DGAT1 O75907 1/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL3563201 0.86 MEN1 (0.44) DRD2DRD3KCNH2ALDH1A1TRIM24
SCHEMBL3558483 0.85 RAB9A (0.56) DRD2DRD3KCNH2RAB9AEPHX2
SCHEMBL43060 0.78 EPHX2 (0.56) ALDH1A1EPHX2NR1H4NPSR1CYP1A2
SCHEMBL14632228 0.78 DRD2 (0.55) DRD2DRD3KCNH2ALDH1A1MEN1
SCHEMBL13141237 0.77 DRD2 (0.50) DRD2DRD3KCNH2ALDH1A1MEN1
SCHEMBL3550353 0.76 DRD2 (0.50) DRD2DRD3KCNH2MEN1KMT2A
SCHEMBL3562831 0.75 MEN1 (0.58) DRD2DRD3ALDH1A1TRIM24TRIM33
SCHEMBL14600372 0.74 DRD2 (0.48) DRD2DRD3KCNH2ALDH1A1MEN1
SCHEMBL3551137 0.74 DRD2 (0.53) DRD2DRD3KCNH2ALDH1A1MEN1
SCHEMBL3550218 0.73 RAB9A (0.55) DRD2DRD3ALDH1A1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
EP-2010524-A2 S1P RECEPTOR MODULATING COMPOUNDS Epix Delaware, Inc. (US) 2009-01-07 EP disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS 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 (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-20080015177-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR2, S1PR5 DRD2 1499/4885DRD3 1463/4885KCNH2 1627/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 DRD2 1499/4885DRD3 1463/4885KCNH2 1627/4885

“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.