SCHEMBL6802383

SCHEMBL6802383

Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 1.00
ADRA1B P35368 20/20 1.00
ADRA1D P25100 17/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00

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 SCHEMBL5165745 0.99 ADRA1A (0.98) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL7822496 0.91 ADRA1A (1.00) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL29468652 0.91 ADRA1A (1.00) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7833998 0.89 ADRA1A (0.81) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Bromide SCHEMBL7834162 0.89 ADRA1A (0.83) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7848291 0.89 ADRA1A (0.98) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7821789 0.87 ADRA1A (0.81) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7833785 0.87 ADRA1A (0.76) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL7836830 0.86 ADRA1A (0.75) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7830482 0.85 ADRA1A (0.74) ADRA1AADRA1BADRA1DCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP claimed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP claimed
US-20250064781-A1 METHODS OF TREATING, AMELIORATING, AND/OR PREVENTING STRESS-RELATED DISORDER UNIV YALE (US) 2025-02-27 US disclosed
WO-2023129857-A1 METHODS OF TREATING, AMELIORATING, AND/OR PREVENTING STRESS-RELATED DISORDER YALE UNIVERSITY (US) 2023-07-06 WO disclosed
US-20220244263-A1 METHODS FOR TREATING SMALL CELL NEUROENDOCRINE AND RELATED CANCERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-04 US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20040132115-A1 Method for screening compounds for alpha1B adrenergic receptor antagonist and analgesic activity FORD ANTHONY P D W (US) 2004-07-08 US disclosed
US-6733982-B1 FOR IDENTIFICATION OF ASSOCIATED LIGAND; SELECTIVE APLHA-1B-ADRENERGIC RECEPTOR ANTAGONISTS ARE USEFUL FOR PAIN RELIEF SYNTEX (U.S.A.) LLC 2004-05-11 US disclosed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS ADRA1A 4831/4885ADRA1B 4809/4885ADRA1D 4806/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS ADRA1A 4863/4885ADRA1B 4807/4885ADRA1D 4859/4885

“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.