SCHEMBL6487502

SCHEMBL6487502

O=C(OCc1ccccc1)N1CCc2c(n3c4c(cc(Cl)c(Cl)c24)OCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGDR2 Q9Y5Y4 16/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
CYP2C19 P33261 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
SCHEMBL6484031 0.93 PTGDR2 (0.47) MEN1KMT2ANPSR1PTGDR2
SCHEMBL6487972 0.92 PTGDR2 (0.47) MEN1KMT2ANPSR1PTGDR2
SCHEMBL6493912 0.90 MEN1 (0.47) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6853636 0.87 PTGDR2 (0.49) MEN1KMT2ANPSR1PTGDR2
SCHEMBL6496435 0.87 MEN1 (0.48) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6483800 0.85 MEN1 (0.47) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6495252 0.84 PTGDR2 (0.49) MEN1KMT2ANPSR1PTGDR2
SCHEMBL6851580 0.83 MCL1 (0.32)
SCHEMBL6490814 0.82 MEN1 (0.47) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2
SCHEMBL6502517 0.81 PTGDR2 (0.46) MEN1KMT2ANPSR1PTGDR2SMN1; SMN2

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 10 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
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.