SCHEMBL4440912

SCHEMBL4440912

CC(C)(C)N1CCN(C2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14155850 0.95 SIGMAR1 (0.51) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL4544710 0.93 SIGMAR1 (0.54) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL20256063 0.93 SIGMAR1 (0.54) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL18053620 0.91 SIGMAR1 (0.45) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL11916112 0.90 SIGMAR1 (0.42) SIGMAR1TSHRGAANPSR1MEN1
SCHEMBL14944853 0.89 SIGMAR1 (0.47) SIGMAR1TSHRGAAPHGDHMGLL
SCHEMBL117945 0.88 SIGMAR1 (0.41) SIGMAR1TSHRGAAMEN1KMT2A
SCHEMBL24410805 0.84 SIGMAR1 (0.38) SIGMAR1TSHRGAA
SCHEMBL11916119 0.83 SIGMAR1 (0.37) SIGMAR1MEN1KMT2A
SCHEMBL16254537 0.82 KDM4E (0.43) SIGMAR1POLBMEN1KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348471-A1 BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD THEREFOR ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2023-05-11 US disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 US disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 US disclosed
US-9072696-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2015-07-07 US disclosed
US-9072696-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2015-07-07 US disclosed
US-9012452-B2 Processes for making cyclopropyl amide derivatives and intermediates associated therewith ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20130172560-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH ASTRAZENECA AB (SE) 2013-07-04 US disclosed
WO-2011102794-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH ASTRAZENECA AB (SE) 2011-08-25 WO disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 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 (13 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF SIGMAR1 4382/4885TSHR 2318/4885GAA 4392/4885
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 SIGMAR1 2713/4885TSHR 3222/4885GAA 4196/4885
US-11129832-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 SIGMAR1 1145/4885TSHR 1827/4885GAA 983/4885
US-20130172560-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH HRH4, HRH2, HRH3 SIGMAR1 197/4885TSHR 419/4885GAA 1285/4885
US-20230348471-A1 BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD THEREFOR BTK, SYK, LCK SIGMAR1 4788/4885TSHR 3190/4885GAA 1436/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 SIGMAR1 4135/4885TSHR 4722/4885GAA 2868/4885
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, FKBP1B SIGMAR1 2565/4885TSHR 2177/4885GAA 3470/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885TSHR 2621/4885GAA 3271/4885
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS SIGMAR1 2530/4885TSHR 2159/4885GAA 2961/4885
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 SIGMAR1 310/4885TSHR 2669/4885GAA 990/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SIGMAR1 2713/4885TSHR 3222/4885GAA 4196/4885
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 SIGMAR1 1145/4885TSHR 1827/4885GAA 983/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 SIGMAR1 4135/4885TSHR 4716/4885GAA 2803/4885

“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.