SCHEMBL5163665

SCHEMBL5163665

CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
GAA P10253 2/20 0.57
NPSR1 Q6W5P4 2/20 0.49
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
MMP2 P08253 1/20 0.46
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL23775984 1.00 TSHR (0.57) TSHRGAANPSR1NOD2NOD1
SCHEMBL4939764 1.00 TSHR (0.57) TSHRGAANPSR1NOD2NOD1
SCHEMBL23776239 0.96 TSHR (0.52) TSHRGAANPSR1NOD2NOD1
SCHEMBL25491424 0.94 LMNA (0.50) TSHRGAANPSR1NOD2NOD1
SCHEMBL19726324 0.94 ALDH1A1 (0.49) TSHRGAALMNAKDM4EALDH1A1
SCHEMBL23775892 0.91 NOD2 (0.50) TSHRGAANPSR1NOD2NOD1
SCHEMBL23776075 0.91 POLB (0.49) TSHRGAANOD2NOD1LMNA
SCHEMBL23775868 0.91 NOD2 (0.50) TSHRGAANPSR1NOD2NOD1
SCHEMBL23776146 0.90 TSHR (0.49) TSHRGAANPSR1NOD2NOD1
SCHEMBL25491432 0.90 USP2 (0.49) TSHRGAANPSR1NOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
EP-4103551-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS The Regents of the University of California (US) 2022-12-21 EP disclosed
WO-2021163493-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-19 WO disclosed
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
EP-1756056-A1 AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2005121085-A1 AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-12-22 WO disclosed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 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-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS CHERP, ATP2A1, ATP2A3 TSHR 4002/4885GAA 2628/4885NPSR1 2176/4885
US-20050272800-A1 NK1 antagonists TACR1, TACR2, TAC3 TSHR 1166/4885GAA 1756/4885NPSR1 9/4885

“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.