SCHEMBL3040801

SCHEMBL3040801

COc1cccc([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
POLB P06746 1/20 0.48
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR1A P08908 2/20 0.45
SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL31137858 1.00 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BADRA2A
SCHEMBL30495417 1.00 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BADRA2A
SCHEMBL568024 1.00 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BADRA2A
SCHEMBL31137879 1.00 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BADRA2A
SCHEMBL3032032 1.00 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BADRA2A
SCHEMBL30495443 1.00 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BADRA2A
SCHEMBL3032029 1.00 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BADRA2A
Hydrochloric Acid SCHEMBL3045109 0.99 DRD2 (0.57) DRD2ADRA1DADRA1AADRA1BADRA2A
Hydrochloric Acid SCHEMBL3045108 0.99 DRD2 (0.57) DRD2ADRA1DADRA1AADRA1BADRA2A
Hydrochloric Acid SCHEMBL31137823 0.99 DRD2 (0.57) DRD2ADRA1DADRA1AADRA1BADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074899-A1 A2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2025-03-06 US claimed
EP-4460298-A1 Alpha2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-11-13 EP claimed
WO-2023131640-A1 α2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-07-13 WO claimed
EP-2176252-B1 2, 3-DIHYDROBENZO[1, 4]DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORP (FI) 2014-09-03 EP claimed
US-8809536-B2 2,3-dihydrobenzo[1,4] dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases ORION CORPORATION (FI) 2014-08-19 US claimed
US-20140179926-A1 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES ORION CORPORATION (FI) 2014-06-26 US claimed
US-8492549-B2 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous systeme diseases ORION CORPORATION (FI) 2013-07-23 US claimed
US-20100216836-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2010-08-26 US claimed
US-20250074899-A1 A2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2025-03-06 US disclosed
WO-2023131640-A1 α2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-07-13 WO disclosed
EP-2176252-B1 2, 3-DIHYDROBENZO[1, 4]DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORP (FI) 2014-09-03 EP disclosed
US-8809536-B2 2,3-dihydrobenzo[1,4] dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases ORION CORPORATION (FI) 2014-08-19 US disclosed
US-20140179926-A1 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES ORION CORPORATION (FI) 2014-06-26 US disclosed
US-8697723-B2 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases ORION CORPORATION (FI) 2014-04-15 US disclosed
US-20130281486-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES ORION CORP (FI) 2013-10-24 US disclosed
US-8492549-B2 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous systeme diseases ORION CORPORATION (FI) 2013-07-23 US disclosed
US-20100216836-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2010-08-26 US disclosed
EP-2176252-A1 2, 3-DIHYDROBENZO[1, 4]DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2010-04-21 EP disclosed
WO-2009013390-A1 2, 3-DIHYDROBENZO[1, 4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2009-01-29 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 (4 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-20250074899-A1 A2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRA2A, ADRB2 DRD2 66/4885ADRA1D 8/4885ADRA1A 7/4885
US-20130281486-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES PMP22, NPY2R, ADRA2C DRD2 230/4885ADRA1D 110/4885ADRA1A 179/4885
US-20140179926-A1 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES PMP22, NPY2R, ADRA2C DRD2 204/4885ADRA1D 109/4885ADRA1A 170/4885
US-20100216836-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES PMP22, NPY2R, ADRA2C DRD2 277/4885ADRA1D 135/4885ADRA1A 231/4885

“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.