SCHEMBL3688019

SCHEMBL3688019

C[C@]1(COCCF)CCCN(C[C@H]2COc3ccccc3O2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.54
ADRA2B P18089 4/20 0.54
ADRA2C P18825 4/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
DRD2 P14416 7/20 0.54
HTR1A P08908 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3688020 1.00 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL566418 0.99 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL567549 0.93 DRD2 (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566712 0.93 DRD2 (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566717 0.91 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566718 0.91 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566815 0.90 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566427 0.88 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566428 0.88 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566822 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 8 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
EP-4460298-A1 Alpha2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-11-13 EP 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-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 (1 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 ADRA2A 2/4885ADRA2B 4/4885ADRA2C 1/4885

“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.