SCHEMBL4206113

SCHEMBL4206113

CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)C[C@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.50
HTRA1 Q92743 1/20 0.50
TACR1 P25103 3/20 0.48
ABCB1 P08183 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR2 O43614 1/20 0.43
RORC P51449 1/20 0.43
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 2/20 0.42

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
SCHEMBL4194648 1.00 SRC (0.50) SRCHTRA1TACR1ABCB1MEN1
SCHEMBL27228989 1.00 SRC (0.50) SRCHTRA1TACR1ABCB1MEN1
SCHEMBL1828471 1.00 SRC (0.50) SRCHTRA1TACR1ABCB1MEN1
SCHEMBL29035297 1.00 SRC (0.50) SRCHTRA1TACR1ABCB1MEN1
SCHEMBL1828470 1.00 SRC (0.50) SRCHTRA1TACR1ABCB1MEN1
SCHEMBL20371559 0.90 HTRA1 (0.50) SRCHTRA1TACR1ABCB1MEN1
SCHEMBL14555313 0.90 HTRA1 (0.50) SRCHTRA1TACR1ABCB1MEN1
SCHEMBL9544087 0.88 HTRA1 (0.49) SRCHTRA1TACR1ABCB1MEN1
SCHEMBL29035191 0.87 TACR1 (0.50) SRCHTRA1TACR1RORCNR1H2
SCHEMBL29523555 0.87 TACR1 (0.50) SRCHTRA1TACR1RORCNR1H2

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-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES CILAG AG (CH) 2024-05-30 US disclosed
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A SRC 1405/4885HTRA1 470/4885TACR1 36/4885
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 SRC 364/4885HTRA1 4371/4885TACR1 3934/4885

“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.