SCHEMBL6483876

SCHEMBL6483876

FC(F)(F)c1cccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
LTA4H P09960 1/20 0.40
HRH3 Q9Y5N1 3/20 0.38
HTR2C P28335 1/20 0.37
KMT2A Q03164 2/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ALOX15 P16050 1/20 0.34
HTR6 P50406 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL6493956 0.89 HRH3 (0.35) HRH3HTR2CHRH1LIPG
SCHEMBL6485119 0.89 LTA4H (0.39) LTA4HHRH3HTR2CHRH1HTR6
SCHEMBL6485544 0.88 SLC6A2 (0.37) HRH3HTR2CHRH1
SCHEMBL6498739 0.86 KDM4E (0.38) L3MBTL1HRH3HTR2CKMT2AHRH1
SCHEMBL6495903 0.86 KDM4E (0.41) L3MBTL1HRH3HTR2CKMT2AHRH1
SCHEMBL6482547 0.86 HRH3 (0.40) HRH3KMT2AHRH1KDM4EALDH1A1
SCHEMBL6499210 0.86 KDM4E (0.41) HRH3HTR2CKMT2AHRH1KDM4E
SCHEMBL6499044 0.85 LTA4H (0.43) LTA4HHRH3HTR2CHRH1KDM4E
SCHEMBL6481002 0.83 HTR2C (0.39) LTA4HHRH3HTR2CALDH1A1LIPG
SCHEMBL6485484 0.83 HRH3 (0.35) HRH3HTR2CHRH1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US 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-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 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 (5 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 L3MBTL1 3832/4885LTA4H 3108/4885HRH3 132/4885
US-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 L3MBTL1 4862/4885LTA4H 2062/4885HRH3 512/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 L3MBTL1 2831/4885LTA4H 3722/4885HRH3 488/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 L3MBTL1 4756/4885LTA4H 2767/4885HRH3 669/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 L3MBTL1 4756/4885LTA4H 2767/4885HRH3 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.