SCHEMBL29633157

SCHEMBL29633157

CNC(C)Cc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.71
HTR2B P41595 3/20 0.71
HTR1A P08908 3/20 0.71
HTR2C P28335 3/20 0.71
GPR84 Q9NQS5 2/20 0.68
HTR6 P50406 3/20 0.58
CYP2D6 P10635 2/20 0.58
CYP1A2 P05177 2/20 0.58
HTR1D P28221 2/20 0.58
HTR1B P28222 2/20 0.58
HTR7 P34969 2/20 0.58
HTR4 Q13639 2/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MTNR1B P49286 2/20 0.56

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
SCHEMBL19847298 1.00 HTR2A (0.71) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL25082193 0.85 HTR2A (0.78) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL21292933 0.83 HTR2B (0.63) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL21292935 0.83 HTR2B (0.63) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL27220752 0.83 HTR2B (0.63) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL22221980 0.83 HTR2A (0.74) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL9773017 0.83 HTR2A (1.00) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL25082464 0.83 HTR2A (0.74) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL9773007 0.83 HTR2A (1.00) HTR2AHTR2BHTR1AHTR2CGPR84
SCHEMBL29365282 0.83 HTR2A (1.00) HTR2AHTR2BHTR1AHTR2CGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452986-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME Kuleon LLC (US) 2024-10-30 EP disclosed
WO-2023225043-A1 TRICYCLIC AND TETRACYCLIC SEROTONIN RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-11-23 WO disclosed
EP-4251181-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS Wesana Health Inc. (US) 2023-10-04 EP disclosed
EP-4251139-A2 COMPOSITIONS AND METHODS FOR TREATING MIGRAINE Wesana Health Inc. (US) 2023-10-04 EP disclosed
WO-2023122135-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-06-29 WO disclosed
WO-2023023298-A1 HALLUCINOGENIC AND NON-HALLUCINOGENIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PSILOSTERICS, LLC (US) 2023-02-23 WO disclosed
US-20220296720-A1 COMPOSITE CHITOSAN-TANNIN-ACTIVE AGENT COMPOSITIONS AND METHODS OF MAKING AND USING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-09-22 US disclosed
WO-2022115798-A2 COMPOSITIONS AND METHODS FOR TREATING MIGRAINE WESANA HEALTH INC. (US) 2022-06-02 WO disclosed
WO-2022115796-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS WESANA HEALTH INC. (US) 2022-06-02 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 (1 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-20220296720-A1 COMPOSITE CHITOSAN-TANNIN-ACTIVE AGENT COMPOSITIONS AND METHODS OF MAKING AND USING SAME TTPA, CHIA, CHIT1 HTR2A 2918/4885HTR2B 3176/4885HTR1A 2312/4885

“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.