SCHEMBL801436

SCHEMBL801436

NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 1.00
HTR2C P28335 2/20 1.00
HTR7 P34969 2/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2A6 P11509 1/20 1.00
HTR2B P41595 1/20 1.00
ADRB2 P07550 1/20 0.93
CHRM2 P08172 1/20 0.93
ADRA2A P08913 1/20 0.93
S1PR1 P21453 1/20 0.93
C5AR1 P21730 1/20 0.93
SLC6A2 P23975 1/20 0.93
FPR3 P25089 1/20 0.93
HTR1D P28221 1/20 0.93
HTR1B P28222 1/20 0.93
HTR2A P28223 1/20 0.93
GPR183 P32249 1/20 0.93
ADRA1A P35348 1/20 0.93
HRH1 P35367 1/20 0.93
ADRA1B P35368 1/20 0.93

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 SCHEMBL4018430 0.99 HTR6 (0.98) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5738583 0.94 HTR6 (0.89) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5739275 0.90 HTR6 (0.82) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5738489 0.88 HTR6 (0.79) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5738365 0.87 HTR6 (0.78) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL3893125 0.87 HTR6 (0.78) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL3889054 0.87 HTR6 (0.78) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5738575 0.87 HTR6 (0.78) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5739503 0.87 HTR6 (0.76) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5738640 0.87 HTR6 (0.76) HTR6HTR2CHTR7CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 THE SCRIPPS RESEARCH INSTITUTE 2023-11-02 US claimed
US-20220146492-A1 CELL MEMBRANE PERMEABILITY RESTORING THERAPY SHINE IAN BASIL (US) 2022-05-12 US claimed
EP-3953000-A1 CELL MEMBRANE PERMEABILITY RESTORING THERAPY Shine, Ian Basil (US) 2022-02-16 EP claimed
EP-1455779-B1 INDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-08-09 EP claimed
US-7022701-B2 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-04-04 US claimed
US-20040209867-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-10-21 US claimed
US-6770642-B2 FOR USE IN TREATMENT OF CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, EPILEPSY, OBSESSIVE COMPULSIVE DISORDER, ATTENTION DEFICIT DISORDER, MIGRAINE, COGNITIVE MEMORY ENHANCEMENT, ALZHEIMER'S DISEASE WYETH 2004-08-03 US claimed
US-20030171353-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 US claimed
US-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 THE SCRIPPS RESEARCH INSTITUTE 2023-11-02 US disclosed
US-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 THE SCRIPPS RESEARCH INSTITUTE 2023-11-02 US disclosed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-20220146492-A1 CELL MEMBRANE PERMEABILITY RESTORING THERAPY SHINE IAN BASIL (US) 2022-05-12 US disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 US disclosed
EP-3953000-A1 CELL MEMBRANE PERMEABILITY RESTORING THERAPY Shine, Ian Basil (US) 2022-02-16 EP disclosed
US-7022701-B2 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-04-04 US disclosed
US-20060003945-A1 Indolylalkylamine metabolites as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-01-05 US disclosed
WO-2006002125-A1 INDOLYLALKYLAMINE METABOLITES AS 5-HYDROXYTRYTAMINE-6 LIGANDS WYETH (US) 2006-01-05 WO disclosed
US-20040209867-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-10-21 US disclosed
US-6770642-B2 FOR USE IN TREATMENT OF CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, EPILEPSY, OBSESSIVE COMPULSIVE DISORDER, ATTENTION DEFICIT DISORDER, MIGRAINE, COGNITIVE MEMORY ENHANCEMENT, ALZHEIMER'S DISEASE WYETH 2004-08-03 US disclosed
US-20030171353-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 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 (4 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-20060003945-A1 Indolylalkylamine metabolites as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 HTR6 1/4885HTR2C 11/4885HTR7 9/4885
US-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 ACE2, SARS1, ACE HTR6 1569/4885HTR2C 1982/4885HTR7 2058/4885
US-20040209867-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885HTR2C 8/4885HTR7 7/4885
US-20030171353-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885HTR2C 8/4885HTR7 7/4885

“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.