SCHEMBL8240100

SCHEMBL8240100

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1CO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 4/20 0.45
CA9 Q16790 4/20 0.45
PARP1 P09874 1/20 0.45
AGTR2 P50052 1/20 0.45
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL12780700 1.00 SIGMAR1 (0.52) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL2014666 0.91 CA1 (0.56) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL4708831 0.91 CA1 (0.56) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL8229902 0.91 CA1 (0.56) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL6975743 0.91 NR1H2 (0.48) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL6975745 0.91 NR1H2 (0.48) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL8448438 0.91 NR1H2 (0.58) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL6099695 0.91 NR1H2 (0.58) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL17376945 0.89 NR1H2 (0.48) SIGMAR1NR1H2NR1H3CA1CA2
SCHEMBL4291170 0.89 NR1H2 (0.48) SIGMAR1NR1H2NR1H3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 CN disclosed
EP-3601297-B1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2022-10-19 EP disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2020-06-04 US disclosed
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2020-06-04 US disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 US disclosed
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-11 US disclosed
WO-2018183418-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-04 WO disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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 (9 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-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 SIGMAR1 4135/4885NR1H2 2369/4885NR1H3 2716/4885
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 SIGMAR1 1463/4885NR1H2 339/4885NR1H3 293/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885NR1H2 1529/4885NR1H3 1495/4885
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 SIGMAR1 4135/4885NR1H2 2369/4885NR1H3 2716/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 SIGMAR1 4135/4885NR1H2 2369/4885NR1H3 2716/4885
US-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 SIGMAR1 4135/4885NR1H2 2369/4885NR1H3 2716/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885NR1H2 1529/4885NR1H3 1495/4885
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 SIGMAR1 4135/4885NR1H2 2369/4885NR1H3 2716/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 SIGMAR1 4135/4885NR1H2 2176/4885NR1H3 2529/4885

“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.