SCHEMBL6482946

SCHEMBL6482946

O=C(c1ccccc1)N1CCc2c(n3c4c(cccc24)C(Oc2ccccc2)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.40
ACHE P22303 1/20 0.40
HTT P42858 1/20 0.38
EPHX1 P07099 1/20 0.38
NSD2 O96028 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
KCNA5 P22460 1/20 0.37
HPGD P15428 1/20 0.37
MTHFD2 P13995 1/20 0.37

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
Diamide SCHEMBL6492807 0.92 PTGDR2 (0.38) PTGDR2MEN1KMT2ACYP2C9ACHE
SCHEMBL6483886 0.79 HTR2C (0.51) MEN1KMT2ACYP2C9
SCHEMBL6493920 0.77 PTGDR2 (0.50) PTGDR2MEN1KMT2ACYP2C9HPGD
SCHEMBL6492296 0.74 PTGDR2 (0.45) PTGDR2CYP2C9HPGDMTHFD2
SCHEMBL6496372 0.74 PTGDR2 (0.36) PTGDR2MEN1KMT2ACYP2C9ACHE
SCHEMBL6483833 0.71 HTR2C (0.47) MEN1KMT2ACYP2C9
SCHEMBL14597201 0.68 ACHE (0.61) MEN1KMT2AACHEHTTEPHX1
SCHEMBL6485011 0.66 PTGDR2 (0.44) PTGDR2CYP2C9ACHEHPGDMTHFD2
SCHEMBL6498327 0.66 PTGDR2 (0.45) PTGDR2MEN1KMT2ACYP2C9HPGD
SCHEMBL6495425 0.66 PTGDR2 (0.51) PTGDR2CYP2C9HPGD

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
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
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP disclosed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO 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 PTGDR2 174/4885MEN1 242/4885KMT2A 2440/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 PTGDR2 314/4885MEN1 164/4885KMT2A 2669/4885
US-20020198190-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.