SCHEMBL6486474

SCHEMBL6486474

FC(F)(F)Oc1ccccc1OCCOc1ccc2c3c1c1c(n3CCC2)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
HTR2B P41595 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
KCNH2 Q12809 4/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A3 Q01959 4/20 0.32
DRD2 P14416 2/20 0.31
MCL1 Q07820 2/20 0.31
PRMT5 O14744 1/20 0.31
EGFR P00533 1/20 0.31
BCL2 P10415 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL6481002 0.89 HTR2C (0.39) HTR2CHRH3HTR2ASLC6A2SLC6A4
SCHEMBL6485484 0.89 HRH3 (0.35) HTR2CHTR2BHRH3HTR2ASLC6A4
SCHEMBL6486177 0.87 HTR2C (0.41) HTR2CHRH3HTR2ASLC6A2SLC6A4
SCHEMBL6492865 0.87 HTR2C (0.37) HTR2CHTR2BHRH3HTR2ACYP2D6
SCHEMBL6493956 0.87 HRH3 (0.35) HTR2CHRH3HTR2ASLC6A2
SCHEMBL6491392 0.86 TSHR (0.42) HTR2CHTR2BHRH3HTR2AKCNH2
SCHEMBL6484576 0.85 TDP1 (0.42) HTR2CHRH3HTR2ACYP2D6MCL1
SCHEMBL6496852 0.85 KDM4E (0.37) HTR2CHTR2BHRH3HTR2ACYP2D6
SCHEMBL6498263 0.83 KDM4E (0.42)
SCHEMBL6482544 0.83 MCL1 (0.47) HTR2CHRH3HTR2ACYP2D6MCL1

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
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
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

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 22/4885HTR2B 86/4885HRH3 512/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2B 184/4885HRH3 669/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2B 184/4885HRH3 669/4885

“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.