SCHEMBL3560004

SCHEMBL3560004

O=C1N(c2ccc(CO)cc2)CCN1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 1/20 0.56
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 1/20 0.46
HDAC1 Q13547 2/20 0.43
ENPP2 Q13822 1/20 0.42
FAAH O00519 3/20 0.41
NAAA Q02083 2/20 0.41
COMT P21964 1/20 0.41
TSHR P16473 2/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 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
SCHEMBL3561302 0.87 RAB9A (0.56) RAB9AMEN1NPC1KMT2AROCK2
SCHEMBL12451876 0.80 HDAC1 (0.66) RAB9AMEN1NPC1KMT2AROCK2
SCHEMBL18364102 0.77 MEN1 (0.60) RAB9AMEN1NPC1KMT2AROCK2
SCHEMBL3558814 0.77 S1PR1 (0.60)
Biphenyl SCHEMBL27280595 0.76 TSHR (0.68) RAB9AMEN1KMT2ATSHRABCC4
SCHEMBL11274656 0.76 TSHR (0.68) RAB9AMEN1KMT2ATSHRABCC4
SCHEMBL70274 0.76 TSHR (0.68) RAB9AMEN1KMT2ATSHRABCC4
SCHEMBL3550353 0.76 DRD2 (0.50) RAB9AMEN1NPC1KMT2AHDAC1
SCHEMBL3562831 0.75 MEN1 (0.58) RAB9AMEN1NPC1KMT2AROCK2
SCHEMBL18363796 0.75 MEN1 (0.58) RAB9AMEN1NPC1KMT2AROCK2

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

“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.