SCHEMBL5016532

SCHEMBL5016532

O=C(c1ccc(OCC2CC2)c2oc3ccccc3c12)[NH+]([O-])c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.48
CYP11B1 P15538 5/20 0.48
CYP11B2 P19099 5/20 0.48
F2RL1 P55085 1/20 0.35
PDE4B Q07343 3/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
CYP17A1 P05093 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
KMO O15229 1/20 0.31
MAPT P10636 1/20 0.31
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30

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
SCHEMBL5017939 0.90 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2F2RL1PDE4B
SCHEMBL5026559 0.85 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2PDE4BKMO
SCHEMBL5023375 0.83 CYP17A1 (0.42) CYP19A1CYP11B1CYP11B2F2RL1PDE4B
SCHEMBL5017972 0.81 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2PDE4BTSHR
SCHEMBL5022946 0.81 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2F2RL1PDE4B
SCHEMBL5017981 0.81 PDE4B (0.45) CYP19A1CYP11B1CYP11B2F2RL1PDE4B
SCHEMBL5026504 0.81 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2F2RL1PDE4B
SCHEMBL5017933 0.80 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2F2RL1PDE4B
SCHEMBL5023378 0.77 F2RL1 (0.37) CYP19A1CYP11B1CYP11B2F2RL1PDE4B
SCHEMBL5022728 0.75 PDE4A (0.51) CYP19A1CYP11B1CYP11B2PDE4BSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP claimed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US claimed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 US claimed
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP disclosed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 CYP19A1 248/4885CYP11B1 96/4885CYP11B2 105/4885
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them LTC4S, TSLP, GPR119 CYP19A1 248/4885CYP11B1 96/4885CYP11B2 105/4885

“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.