SCHEMBL566627

SCHEMBL566627

Oc1cccc(C2CCCNC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.62
DRD3 P35462 3/20 0.62
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
NFKB1 P19838 1/20 0.48
PRCP P42785 1/20 0.48
EBP Q15125 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL3037442 1.00 DRD2 (0.62) DRD2DRD3CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3037511 0.98 DRD2 (0.60) DRD2DRD3CYP2D6SLC6A2SLC6A4
Bromide SCHEMBL3041691 0.98 DRD2 (0.60) DRD2DRD3CYP2D6SLC6A2SLC6A4
Bromide SCHEMBL567330 0.98 DRD2 (0.60) DRD2DRD3CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3037509 0.98 DRD2 (0.60) DRD2DRD3CYP2D6SLC6A2SLC6A4
SCHEMBL11768645 0.95 DRD3 (0.56) DRD2DRD3CYP2D6SLC6A2SLC6A4
SCHEMBL7405883 0.91 DRD2 (0.55) DRD2DRD3
Tert-Butyl Formate SCHEMBL27616090 0.84 DRD2 (0.47) DRD2DRD3SIGMAR1NFKB1PRCP
Hydrochloric Acid SCHEMBL4619059 0.82 CHRNB2 (0.52) DRD2DRD3
SCHEMBL1658753 0.81 HDAC4 (0.56) DRD2DRD3SIGMAR1NFKB1PRCP

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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP 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
CN-101842369-B 2, 3-dihydrobenzo [1,4] dioxin-2-ylmethyl derivatives as alpha 2C antagonists for the treatment of peripheral and central nervous system disorders ORION CORP 2014-01-22 CN disclosed
WO-1994007863-A9 OCTAHYDRONAPHTHOQUINOLIZINES, AND METHODS OF MAKING AND USING THEREOF 1994-06-09 WO disclosed
WO-1994007863-A1 OCTAHYDRONAPHTHOQUINOLIZINES, AND METHODS OF MAKING AND USING THEREOF NEW YORK UNIVERSITY (US) 1994-04-14 WO disclosed
US-4937346-A Phenyl-azacykloalkanes Carlsson, Per Arvid Emil (SE) 1990-06-26 US disclosed
EP-0084920-B1 NEW COMPOUNDS USEFUL AS INTERMEDIATES OR STARTING MATERIALS FOR PREPARATION OF THERAPEUTICALLY USEFUL PHENYL-AZACYCLOALKANES Carlsson, Per Arvid Emil (SE) 1989-04-19 EP disclosed
US-4719219-A Phenyl-azacycloalkanes and use thereof in treatment of central nervous system disorders Carlsson, Per A. E. (SE) 1988-01-12 US disclosed
EP-0114603-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-08-01 EP disclosed
US-4426386-A CNS DISORDERS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1984-01-17 US disclosed
EP-0084920-A2 New compounds useful as intermediates or starting materials for preparation of therapeutically useful phenyl-azacycloalkanes Carlsson, Per Arvid Emil (SE) 1983-08-03 EP disclosed
EP-0030526-A1 New phenyl-azacycloalkanes, processes for preparation and pharmaceutical preparations for such compounds Astra Läkemedel Aktiebolag (SE) 1981-06-17 EP disclosed
WO-1981001552-A1 NEW PHENYL-AZACYCLOALKANES ASTRA LAEKEMEDEL AB (SE) 1981-06-11 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 (2 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B DRD2 4505/4885DRD3 4541/4885CYP2D6 4324/4885
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 204/4885DRD3 290/4885CYP2D6 1259/4885

“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.