SCHEMBL5835871

SCHEMBL5835871

CNCCOc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.64
HTR1D P28221 1/20 0.64
DRD2 P14416 2/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 2/20 0.61
CACNA1B Q00975 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
SLC6A4 P31645 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
Hydrochloric Acid SCHEMBL21595945 0.98 HTR1B (0.62) HTR1BHTR1DDRD2DRD4DRD3
SCHEMBL16809146 0.94 HTR1B (0.66) HTR1BHTR1DDRD2DRD4DRD3
SCHEMBL23067925 0.83 DRD4 (0.76) DRD2DRD4DRD3TSHR
SCHEMBL13284418 0.82 ESR1 (0.70) DRD2DRD4DRD3CYP1A2CYP2D6
Dimethylamine SCHEMBL8780840 0.81 DRD2 (0.63) HTR1BHTR1DDRD2DRD4DRD3
SCHEMBL2470398 0.81 DRD2 (0.68) HTR1BHTR1DDRD2DRD4DRD3
SCHEMBL2468934 0.81 HTR1B (0.67) HTR1BHTR1DDRD2DRD4DRD3
SCHEMBL9114592 0.79 CYP1A2 (0.63) DRD2DRD4DRD3L3MBTL1TSHR
Bromide SCHEMBL9463695 0.79 HTR1B (0.64) HTR1BHTR1DDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL21595673 0.79 DRD2 (0.66) HTR1BHTR1DDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250345785-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO RAD LABORATORIES INC (US) 2025-11-13 US claimed
US-11896969-B2 Anionic exchange-hydrophobic mixed mode chromatography resins BIO-RAD LABORATORIES, INC. (US) 2024-02-13 US claimed
US-20250345785-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO RAD LABORATORIES INC (US) 2025-11-13 US disclosed
US-12364978-B2 Anionic exchange-hydrophobic mixed mode chromatography resins BIO-RAD LABORATORIES, INC. (US) 2025-07-22 US disclosed
US-20240261775-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2024-08-08 US disclosed
US-11896969-B2 Anionic exchange-hydrophobic mixed mode chromatography resins BIO-RAD LABORATORIES, INC. (US) 2024-02-13 US disclosed
EP-3704089-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-19 EP disclosed
EP-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 EP disclosed
US-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2021-03-11 US disclosed
WO-2021046284-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. (US) 2021-03-11 WO disclosed
US-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2021-03-11 US disclosed
US-7067655-B2 preparation of furanyl, thienyl, pyridyl, pyridyl N-oxide, oxazolyl, phenyl, pyrrolyl or C4-C6 cycloalkenyl- substituted 5-amino-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine adenosines prepared from 2-amino-4,6-dihydroxypyrimidine, POCl3 and dimethylformamide SCHERING CORPORATION (US) 2006-06-27 US disclosed
US-6897216-B2 Adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2005-05-24 US disclosed
EP-1283839-B1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2005-04-20 EP disclosed
US-20050026932-A1 Adenosine A2a receptor antagonists SCHERING CORPORATION 2005-02-03 US disclosed
US-20040023997-A1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-05 US disclosed
US-6630475-B2 5-amino-pyrazolo-(4, 3-e)-1,2,4-triazolo(1,5-c)pyrimidine adenosine A2a receptor antagonists; use in the treatment of central nervous system diseases, in particular Parkinson's disease SCHERING CORPORATION 2003-10-07 US disclosed
EP-1283839-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-02-19 EP disclosed
US-20020099061-A1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
WO-2001092264-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-12-06 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 (8 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-20250345785-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 HTR1B 1932/4885HTR1D 2519/4885DRD2 2750/4885
US-12364978-B2 Anionic exchange-hydrophobic mixed mode chromatography resins ABCG2, SLC7A1, MSR1 HTR1B 1932/4885HTR1D 2519/4885DRD2 2750/4885
US-20240261775-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 HTR1B 1932/4885HTR1D 2519/4885DRD2 2750/4885
US-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 HTR1B 1932/4885HTR1D 2519/4885DRD2 2750/4885
US-20050026932-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B HTR1B 70/4885HTR1D 104/4885DRD2 61/4885
US-11896969-B2 Anionic exchange-hydrophobic mixed mode chromatography resins ABCG2, SLC7A1, MSR1 HTR1B 1932/4885HTR1D 2519/4885DRD2 2750/4885
US-20020099061-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B HTR1B 62/4885HTR1D 81/4885DRD2 75/4885
US-20040023997-A1 Adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B HTR1B 67/4885HTR1D 91/4885DRD2 83/4885

“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.