SCHEMBL9870455

SCHEMBL9870455

C#CCC(O)COCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
MAPK1 P28482 1/20 0.50
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AGER Q15109 1/20 0.46
CA4 P22748 1/20 0.44
TACR1 P25103 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL9870444 1.00 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL10493999 1.00 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL397022 0.83 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL8328277 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL27686748 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL6580596 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL15939041 0.80 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL1760855 0.80 CA1 (0.43) CA1CA2CA7CA9TSHR
SCHEMBL1760857 0.80 CA1 (0.43) CA1CA2CA7CA9TSHR
SCHEMBL7153591 0.80 CA1 (0.76) CA1CA2CA7CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1040438-A None JP disclosed
US-20260028356-A1 1,3,4,7-TETRAHYDRO-2H-PYRROLO[3',2':5,6]PYRIDO[2,3-B][1,4]OXAZEPINE BCL-2 INHIBITORS ABBVIE INC (US) 2026-01-29 US disclosed
US-20250066388-A1 1,3,4,7-TETRAHYDRO-2H-PYRROLO[3',2':5,6]PYRIDO[2,3-B][1,4]OXAZEPINE BCL-2 INHIBITORS ABBVIE INC (US) 2025-02-27 US disclosed
US-20240309003-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2024-09-19 US disclosed
US-11964990-B2 1,3,4,7-tetrahydro-2H-pyrrolo[3′,2′:5,6]pyrido[2,3-b][1,4]oxazepine bcl-2 inhibitors ABBVIE INC. (US) 2024-04-23 US disclosed
EP-4334295-A2 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE Vigil Neuoscience, Inc. (US) 2024-03-13 EP disclosed
CN-117597333-A Heterocyclic compounds as receptor 2-triggering agonists expressed on myeloid cells and methods of use 维吉尔神经科学股份有限公司 2024-02-23 CN disclosed
WO-2023141536-A1 1,3,4,7-TETRAHYDRO-2H-PYRROLO [3',2':5,6] PYRIDO[2,3-B] [1,4] OXAZEPINE BC1-2 INHIBITORS ABBVIE INC. (US) 2023-07-27 WO disclosed
US-20230234971-A1 1,3,4,7-Tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[2,3-b][1,4]oxazepine Bcl-2 Inhibitors ABBVIE INC. (US) 2023-07-27 US disclosed
WO-2022236272-A2 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2022-11-10 WO disclosed
US-4985571-A 6-membered lactones useful as intermediates for antilipemic mevalonic acid lactones Takano, Seiichi (JP) 1991-01-15 US disclosed
EP-0362628-A2 6-Membered lactones and process for their production Takano, Seiichi (JP) 1990-04-11 EP disclosed
JP-S6440438-A PRODUCTION OF DEUTERATED INNER ALKYNE COMPOUND ADEKA ARGUS CHEMICAL CO LTD 1989-02-10 JP 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 (5 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-20260028356-A1 1,3,4,7-TETRAHYDRO-2H-PYRROLO[3',2':5,6]PYRIDO[2,3-B][1,4]OXAZEPINE BCL-2 INHIBITORS BCL9L, BCL2L2, BCL2L1 CA1 1673/4885CA2 185/4885CA7 3561/4885
US-20250066388-A1 1,3,4,7-TETRAHYDRO-2H-PYRROLO[3',2':5,6]PYRIDO[2,3-B][1,4]OXAZEPINE BCL-2 INHIBITORS BCL9L, BCL2L1, BCL2L2 CA1 2200/4885CA2 1172/4885CA7 4552/4885
US-20240309003-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 CA1 3334/4885CA2 3043/4885CA7 4376/4885
US-20230234971-A1 1,3,4,7-Tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[2,3-b][1,4]oxazepine Bcl-2 Inhibitors BCL9L, BCL2L1, BCL2L2 CA1 2200/4885CA2 1172/4885CA7 4552/4885
US-11964990-B2 1,3,4,7-tetrahydro-2H-pyrrolo[3′,2′:5,6]pyrido[2,3-b][1,4]oxazepine bcl-2 inhibitors BCL9L, BCL2L1, BCL9 CA1 2292/4885CA2 1226/4885CA7 4565/4885

“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.