SCHEMBL6492296

SCHEMBL6492296

O=C1CCn2c3c(c4cccc1c42)CCN(C(=O)c1ccccc1)CC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.45
HPGD P15428 2/20 0.44
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD4 P21917 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH2 P25021 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL6495425 0.85 PTGDR2 (0.51) PTGDR2HPGDCYP2C9ALDH1A1USP2
SCHEMBL6498327 0.85 PTGDR2 (0.45) PTGDR2HPGDCYP2C9ALDH1A1LMNA
SCHEMBL6493920 0.84 PTGDR2 (0.50) PTGDR2HPGDCYP2C9ALDH1A1LMNA
SCHEMBL6485011 0.79 PTGDR2 (0.44) PTGDR2HPGDCYP2C9ALDH1A1LMNA
Oxalic Acid SCHEMBL6492860 0.77 HTR2C (0.52) CYP2C9SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL6482120 0.76 PTGDR2 (0.40) PTGDR2CYP2C9ALDH1A1LMNAPOLB
SCHEMBL6484993 0.76 PTGDR2 (0.43) PTGDR2CYP2C9ALDH1A1LMNAPOLB
SCHEMBL6507779 0.75 HTR2C (0.58) CYP2C9SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL6482946 0.74 PTGDR2 (0.41) PTGDR2HPGDCYP2C9MTHFD2
SCHEMBL263534 0.68 HPGD (0.66) HPGDALDH1A1POLBSIGMAR1USP2

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
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US claimed
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
JP-2002543080-A 2002-12-17 JP claimed
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP claimed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO 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-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
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 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 (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 PTGDR2 174/4885HPGD 2462/4885CYP2C9 26/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 PTGDR2 314/4885HPGD 2673/4885CYP2C9 40/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 PTGDR2 314/4885HPGD 2673/4885CYP2C9 40/4885

“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.