SCHEMBL3563201

SCHEMBL3563201

CC(C)(C)c1cccc(N2CCN(c3ccc(C=O)cc3)C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PRMT1 Q99873 1/20 0.43
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
KCNH2 Q12809 3/20 0.40
CYP17A1 P05093 2/20 0.38
ALDH1A1 P00352 4/20 0.38
F10 P00742 2/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
GRM2 Q14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL3551137 0.86 DRD2 (0.53) MEN1NPC1RAB9AKMT2APRMT1
SCHEMBL3555541 0.86 DRD2 (0.48) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL3553207 0.80 RAB9A (0.42) MEN1NPC1RAB9AKMT2APRMT1
SCHEMBL14423582 0.80 F10 (0.45) MEN1NPC1RAB9AKMT2APRMT1
SCHEMBL13185178 0.79 MEN1 (0.47) MEN1NPC1RAB9AKMT2APRMT1
SCHEMBL13060962 0.79 PRMT1 (0.49) MEN1NPC1RAB9AKMT2APRMT1
SCHEMBL14632229 0.79 DRD2 (0.46) MEN1NPC1RAB9AKMT2APRMT1
SCHEMBL3555407 0.77 CTSG (0.44) MEN1NPC1RAB9AKMT2APRMT1
SCHEMBL14600478 0.75 DRD2 (0.41) MEN1NPC1RAB9AKMT2APRMT1
SCHEMBL16786524 0.74 NOTUM (0.42) DRD2DRD3KCNH2ALDH1A1GRM2

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 10 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
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

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 MEN1 1502/4885NPC1 531/4885RAB9A 2475/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 MEN1 1502/4885NPC1 531/4885RAB9A 2475/4885

“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.