SCHEMBL5016445

SCHEMBL5016445

c1ccc2c(c1)oc1c(OC3CCCC3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MAOA P21397 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
MCHR1 Q99705 2/20 0.38
ALOX5 P09917 2/20 0.37
PDE4A P27815 3/20 0.36
PDE5A O76074 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 1/20 0.35

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
SCHEMBL10759660 0.76 MAOA (0.54) KDM4ELMNAMAOANPC1ALDH1A1
SCHEMBL5018006 0.76 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2KDM4ELMNA
SCHEMBL5183646 0.75 PDE5A (0.37) CYP19A1CYP11B1CYP11B2PDE4APDE5A
SCHEMBL5022607 0.74 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL5022718 0.74 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2KDM4ELMNA
SCHEMBL10605456 0.74 MCHR1 (0.51) MCHR1PDE4APDE5APDE4BPDE4C
SCHEMBL5344402 0.73 MCHR1 (0.49) MCHR1PDE4APDE5APDE4BPDE4C
SCHEMBL1301907 0.73 MAOA (0.75) KDM4ELMNAMAOANPC1ALDH1A1
SCHEMBL8298197 0.73 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL19094401 0.71 MAOA (0.50) KDM4ELMNAMAOANPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed
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.