SCHEMBL4244966

SCHEMBL4244966

COc1ccc2[nH]c(C)c(CCN)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 1.00
HTR6 P50406 4/20 1.00
HTR7 P34969 3/20 0.70
HTR1A P08908 2/20 0.70
SLC6A2 P23975 1/20 0.70
HTR1E P28566 1/20 0.70
HTR5A P47898 1/20 0.70
TRPM8 Q7Z2W7 2/20 0.66
HSD17B10 Q99714 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTR3A P46098 1/20 0.64
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
AKR1C2 P52895 1/20 0.62

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 SCHEMBL7433474 0.98 HTR1D (0.97) HTR1DHTR6HTR7HTR1ASLC6A2
Cyanide SCHEMBL28561862 0.96 HTR1D (0.92) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL7806663 0.90 HTR1D (0.82) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL8555235 0.86 HTR1D (0.76) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL5800700 0.85 HTR1D (0.74) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL7864871 0.85 HTR1D (0.74) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL4231080 0.85 HTR1D (0.74) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL8229569 0.84 HTR6 (0.72) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL8946961 0.84 HTR6 (0.72) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL11374190 0.83 ALDH1A1 (0.78) HTR1DHTR6HTR7HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746340-A Synthetic method of 5-methoxy-2-methyltryptamine 上海易恩化学技术有限公司 2020-02-04 CN claimed
WO-2001095902-A1 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS RESPIRATORIUS AB (SE) 2001-12-20 WO claimed
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO disclosed
CN-115093410-B Preparation method of beta-carboline compound 南京工业大学 2023-09-26 CN disclosed
US-20230279000-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-09-07 US disclosed
EP-4110778-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-01-04 EP disclosed
CN-115244048-A Pyridopyrimidine derivatives useful for modulating AhR signaling 捷豹治疗有限公司 2022-10-25 CN disclosed
CN-115093410-A Preparation method of beta-carboline compound 南京工业大学 2022-09-23 CN disclosed
CN-110746340-A Synthetic method of 5-methoxy-2-methyltryptamine 上海易恩化学技术有限公司 2020-02-04 CN disclosed
CN-110746340-A Synthetic method of 5-methoxy-2-methyltryptamine 上海易恩化学技术有限公司 2020-02-04 CN disclosed
CN-110746340-A Synthetic method of 5-methoxy-2-methyltryptamine 上海易恩化学技术有限公司 2020-02-04 CN disclosed
US-20020103383-A1 Selective 5-HT6 receptor ligands GLENNON RICHARD A (US) 2002-08-01 US disclosed
EP-1225882-A1 SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES Vanderbilt University (US) 2002-07-31 EP disclosed
US-6403808-B1 TREATING MENTAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2002-06-11 US disclosed
EP-1149078-A1 SELECTIVE 5-HT 6? RECEPTOR LIGANDS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2001-10-31 EP disclosed
US-6306890-B1 COMPOUNDS FOR INHIBITING CYCLOOXYGENASE VANDERBILT UNIVERSITY 2001-10-23 US disclosed
WO-2001015686-A1 SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES VANDERBILT UNIVERSITY (US) 2001-03-08 WO disclosed
US-6187805-B1 TREATING CONDITION FOR WHICH SELECTIVE AGONISM OR ANTAGONISM OF 5-HT-6 RECEPTORS IS INDICATED BY ADMINISTERING COMPOUNDS SUCH AS N,N-DIMETHYL 2-(1-(BENZENESULPHONYL)-5-METHOXY-1H-INDOL-3-YL)ETHYLAMINE MERCK SHARP & DOHME LTD. (GB) 2001-02-13 US disclosed
WO-2000034242-A1 SELECTIVE 5-HT6 RECEPTOR LIGANDS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-06-15 WO disclosed
US-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 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 (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-20230279000-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL IN MODULATION OF AHR SIGNALLING AHR, ARNT, PAH HTR1D 714/4885HTR6 92/4885HTR7 465/4885
US-20020103383-A1 Selective 5-HT6 receptor ligands HTR6, HTR4, HTR5A HTR1D 16/4885HTR6 1/4885HTR7 6/4885

“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.