SCHEMBL3555846

SCHEMBL3555846

O=C(O)CCC(=O)NCc1ccc(N2CCN(c3cccc(C4CCCCC4)c3)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
PDE5A O76074 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.38
KMO O15229 1/20 0.38
METAP2 P50579 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 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
SCHEMBL14423045 0.91 HPGD (0.39) HTTHPGDMAPTLMNAKMO
SCHEMBL3554123 0.87 S1PR1 (0.41) HPGDMAPTNPC1RAB9AKMO
SCHEMBL3553651 0.86 FFAR4 (0.43) NPC1RAB9AKMOMEN1KMT2A
SCHEMBL3556463 0.86 S1PR1 (0.38) HPGDMAPTNPC1RAB9AKMO
SCHEMBL3557933 0.82 KMO (0.37) KMOHTR2CHTR2B
SCHEMBL3561277 0.81 KMO (0.37) HPGDMAPTKMO
SCHEMBL3555262 0.80 HDAC4 (0.42) NPC1RAB9AKMOHTR2CHTR2B
SCHEMBL3559592 0.79 DRD2 (0.40)
SCHEMBL3559574 0.79 OPRM1 (0.37) HPGDMAPTKMO
SCHEMBL13006961 0.78 DRD2 (0.42) NPC1RAB9AKMOHTR2CHTR2B

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 11 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 claimed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US claimed
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

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 RECQL 4810/4885HTT 3396/4885HPGD 2081/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 RECQL 4810/4885HTT 3396/4885HPGD 2081/4885

“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.