SCHEMBL6483430

SCHEMBL6483430

c1ccc(COc2ccc3c4c(n5c3c2SCC5)CCNCC4)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.41
HTR2A P28223 3/20 0.41
HTR1A P08908 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MCHR1 Q99705 5/20 0.41
HTR2B P41595 1/20 0.39
HTR6 P50406 2/20 0.38
CYP3A4 P08684 1/20 0.36
PRMT5 O14744 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HIF1A Q16665 1/20 0.33

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
SCHEMBL6486098 0.82 HTR1A (0.40) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL6495834 0.82 HTR2C (0.43) HTR2CHTR2AHTR2BHTR6CYP3A4
SCHEMBL6482565 0.80 HTR2C (0.53) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL6483031 0.79 MCHR1 (0.44) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL6499385 0.76 HTR2C (0.46) HTR2CHTR2AHTR2BHTR6CYP3A4
SCHEMBL6495622 0.76 HTR2C (0.46) HTR2CHTR2AHTR6CYP3A4
SCHEMBL6496065 0.76 HTR2C (0.46) HTR2CHTR2AMCHR1HTR2BHTR6
SCHEMBL6485945 0.73 HTR2C (0.43) HTR2CHTR2ASLC6A2SLC6A4MCHR1
SCHEMBL6483917 0.72 HTR2C (0.55) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL6852201 0.70 HTR2C (0.58) HTR2CHTR2AHTR6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US claimed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 US claimed
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
EP-1107971-B1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LTD (GB) 2004-11-24 EP disclosed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP disclosed
US-20040138202-A1 Tetracyclic azepinoindole compounds PHARMACIA AND UPJOHN COMPANY 2004-07-15 US disclosed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US disclosed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 US disclosed
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP disclosed
EP-1107971-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM Destiny Pharma Limited (GB) 2001-06-20 EP disclosed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO disclosed
WO-2000012512-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LIMITED (GB) 2000-03-09 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 (3 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-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 HTR2C 22/4885HTR2A 34/4885HTR1A 32/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885HTR1A 12/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885HTR1A 12/4885

“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.