SCHEMBL6491970

SCHEMBL6491970

O=C(OCc1ccccc1)N1CCc2c(n3c4c(c(Cl)ccc24)OCC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGDR2 Q9Y5Y4 12/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL6492896 0.88 PTGDR2 (0.50) MEN1KMT2ANPSR1PTGDR2
SCHEMBL6496435 0.88 MEN1 (0.48) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6493912 0.83 MEN1 (0.47) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6483800 0.83 MEN1 (0.47) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6487502 0.81 MEN1 (0.47) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6490814 0.80 MEN1 (0.47) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6492696 0.79 PTGDR2 (0.47) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6487972 0.79 PTGDR2 (0.47) MEN1KMT2ANPSR1PTGDR2
SCHEMBL6484031 0.77 PTGDR2 (0.47) MEN1KMT2ANPSR1PTGDR2
SCHEMBL6495252 0.76 PTGDR2 (0.49) MEN1KMT2ANPSR1PTGDR2

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 11 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
JP-2002543080-A 2002-12-17 JP 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
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-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 (2 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 MEN1 242/4885KMT2A 2440/4885NPSR1 126/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 MEN1 164/4885KMT2A 2669/4885NPSR1 244/4885

“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.