SCHEMBL6498263

SCHEMBL6498263

c1ccc(-c2ccccc2OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.42
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 4/20 0.39
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.36

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
SCHEMBL6482814 0.88 LTA4H (0.40)
SCHEMBL6491392 0.87 TSHR (0.42) ALDH1A1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL6496852 0.86 KDM4E (0.37) KDM4EALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL6492865 0.86 HTR2C (0.37) ALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL6486177 0.86 HTR2C (0.41) KDM4EALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL6484576 0.86 TDP1 (0.42) KDM4EALDH1A1TDP1HTTKMT2A
SCHEMBL6499044 0.86 LTA4H (0.43) KDM4ELMNA
SCHEMBL6482544 0.84 MCL1 (0.47) KDM4ETDP1KMT2AMEN1MAPT
SCHEMBL6481002 0.83 HTR2C (0.39) ALDH1A1
SCHEMBL6486474 0.83 HTR2C (0.36)

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 KDM4E 1036/4885ALDH1A1 542/4885TDP1 1839/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 KDM4E 1620/4885ALDH1A1 327/4885TDP1 881/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 KDM4E 1620/4885ALDH1A1 327/4885TDP1 881/4885

“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.