SCHEMBL17410952

SCHEMBL17410952

COc1ccc(F)c(C2(O)CC3(CCN(C(=O)OCc4ccccc4)CC3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
PTGDR2 Q9Y5Y4 13/20 0.45
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM1A O60341 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
SCHEMBL8315303 0.81 SCN5A (0.54) SCN5ASCN9APTGDR2MEN1KMT2A
SCHEMBL17411047 0.81 SCN5A (0.50) SCN5ASCN9APTGDR2ENPP2ATXN2
SCHEMBL6608659 0.79 SCN5A (0.52) SCN5ASCN9AENPP2ATXN2MEN1
SCHEMBL6709536 0.79 SCN5A (0.54) SCN5ASCN9APTGDR2MEN1KMT2A
SCHEMBL23859674 0.78 SMN1; SMN2 (0.56) ENPP2ATXN2CYP2D6MEN1KMT2A
SCHEMBL8315425 0.77 OPRD1 (0.54) SCN5ASCN9AMEN1KMT2ANPSR1
SCHEMBL7504527 0.77 ALDH1A1 (0.60) SCN5ASCN9AMEN1KMT2ANPSR1
SCHEMBL2672901 0.77 MEN1 (0.56) ENPP2ATXN2CYP2D6MEN1KMT2A
SCHEMBL6604538 0.77 SCN5A (0.51) SCN5ASCN9AENPP2ATXN2MEN1
SCHEMBL471611 0.77 SCN5A (0.51) SCN5ASCN9AENPP2ATXN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3165530-B1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QILU PHARMACEUTICAL CO LTD (CN) 2018-12-05 EP disclosed
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide QILU PHARMACEUTICAL CO., LTD. (CN) 2018-08-21 US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 US disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 EP disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 EP disclosed
WO-2016000581-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE 南京明德新药研发股份有限公司 2016-01-07 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-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE ALK, ROS1, ARSA SCN5A 427/4885SCN9A 242/4885PTGDR2 2219/4885
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide ALK, ROS1, ARSA SCN5A 427/4885SCN9A 242/4885PTGDR2 2219/4885

“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.