SCHEMBL682819

SCHEMBL682819

c1ccc(C[C@H]2CNCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.50
SLC6A3 Q01959 10/20 0.50
SLC6A4 P31645 9/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA2C P18825 1/20 0.50
GBA1 P04062 1/20 0.46
HRH1 P35367 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR3A P46098 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
SCHEMBL659743 1.00 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1552999 1.00 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
Methane SCHEMBL27798790 0.98 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL4772964 0.98 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
Trifluoroacetic Acid SCHEMBL2267360 0.87 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1553169 0.86 MAOB (0.50) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1553074 0.86 MAOB (0.50) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL8924483 0.84 DRD4 (0.51) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL78044 0.84 DRD4 (0.51) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL28529628 0.84 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
EP-1989188-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-07-22 EP disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
CN-101490017-A Therapeutic piperazines as PDE4 inhibitors HELICON THERAPEUTICS INC (US) 2009-07-22 CN disclosed
EP-1989188-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS Helicon Therapeutics, Inc. (US) 2008-11-12 EP disclosed
WO-2007100852-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed
WO-2007100852-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-5614518-A Morpholine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME LTD. (GB) 1997-03-25 US 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 (3 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-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 SLC6A2 894/4885SLC6A3 654/4885SLC6A4 166/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 SLC6A2 1357/4885SLC6A3 2235/4885SLC6A4 1946/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 SLC6A2 1936/4885SLC6A3 1906/4885SLC6A4 2247/4885

“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.