SCHEMBL6493228

SCHEMBL6493228

O=C(OCc1ccccc1)N1CCc2c(n3c4c(cc(F)cc24)CCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6492932 0.89 MEN1 (0.46) PTGDR2MEN1KMT2ANPSR1TMEM97
SCHEMBL6485348 0.87 MEN1 (0.49) PTGDR2MEN1KMT2ANPSR1TMEM97
SCHEMBL6492696 0.84 PTGDR2 (0.47) PTGDR2MEN1KMT2ANPSR1NPC1
SCHEMBL7034581 0.81 PTGDR2 (0.38) PTGDR2MEN1KMT2ASMN1; SMN2
SCHEMBL6492896 0.76 PTGDR2 (0.50) PTGDR2MEN1KMT2ANPSR1
SCHEMBL6490814 0.75 MEN1 (0.47) PTGDR2MEN1KMT2ANPSR1TMEM97
SCHEMBL6483800 0.74 MEN1 (0.47) PTGDR2MEN1KMT2ANPSR1NPC1
SCHEMBL6494502 0.74 TMEM97 (0.49) PTGDR2MEN1KMT2ANPSR1TMEM97
SCHEMBL6483674 0.73 SMN1; SMN2 (0.48) PTGDR2MEN1KMT2ANPSR1TMEM97
SCHEMBL6853636 0.72 PTGDR2 (0.49) PTGDR2MEN1KMT2ANPSR1

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 7 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-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 PTGDR2 174/4885MEN1 242/4885KMT2A 2440/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 PTGDR2 314/4885MEN1 164/4885KMT2A 2669/4885

“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.