SCHEMBL2116370

SCHEMBL2116370

CCC1CCCN1CCCO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 3/20 0.45
S1PR5 Q9H228 3/20 0.45
S1PR4 O95977 1/20 0.45
OPRD1 P41143 3/20 0.45
SPHK2 Q9NRA0 5/20 0.43
SPHK1 Q9NYA1 5/20 0.43
HSD17B10 Q99714 1/20 0.42
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TERT O14746 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
SCHEMBL2118732 0.94 HSD17B10 (0.47) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL9975336 0.88 SPHK2 (0.42) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL12067113 0.88 SPHK2 (0.42) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL23828675 0.88 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL23828673 0.88 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL3425937 0.84 SPHK2 (0.49) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL3429334 0.84 SPHK2 (0.49) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL3427378 0.84 SPHK2 (0.49) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL12643455 0.84 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL23828670 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4SPHK2

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-9206422-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2015-12-08 US disclosed
US-9200278-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2015-12-01 US disclosed
US-20150011605-A1 Single-Stranded Nucleic Acid Molecule for Controlling Gene Expression BONAC CORPORATION (JP) 2015-01-08 US disclosed
US-8785121-B2 Single-stranded nucleic acid molecule for controlling gene expression BONAC CORPORATION (JP) 2014-07-22 US disclosed
US-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-20140171486-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-8691782-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2014-04-08 US disclosed
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20120035246-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON BONAC CORPORATION (JP) 2012-02-09 US disclosed
US-20120010271-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE FOR CONTROLLING GENE EXPRESSION BONAC CORPORATION (JP) 2012-01-12 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 EP 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 (4 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-20120010271-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE FOR CONTROLLING GENE EXPRESSION SRRT, SSU72, RPRD2 S1PR1 4480/4885S1PR3 4325/4885S1PR5 4356/4885
US-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 S1PR1 476/4885S1PR3 567/4885S1PR5 912/4885
US-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton NSUN2, CTDSP1, RNGTT S1PR1 2409/4885S1PR3 3046/4885S1PR5 2885/4885
US-20120035246-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON NSUN2, CTDSP1, RNGTT S1PR1 2409/4885S1PR3 3046/4885S1PR5 2885/4885

“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.