SCHEMBL5022796

SCHEMBL5022796

COc1c(C)cc(C(=O)O)c2c3cccc(Cl)c3n(CC3CCCCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.42
ACHE P22303 5/20 0.40
PTGER4 P35408 1/20 0.39
PLA2G2A P14555 3/20 0.39
HTR4 Q13639 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
NOTUM Q6P988 1/20 0.38
CNR2 P34972 4/20 0.38
MAPK8 P45983 1/20 0.36

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
SCHEMBL5022752 0.91 ACHE (0.41) CNR1ACHEPTGER4HTR4SIGMAR1
SCHEMBL5022760 0.83 CNR1 (0.44) CNR1CNR2
SCHEMBL5025323 0.82 AR (0.41) CNR1ACHEPTGER4PLA2G2AHTR4
SCHEMBL6071739 0.80 OPRM1 (0.39) CNR1ACHEPLA2G2AHTR4SIGMAR1
SCHEMBL5017993 0.79 FABP4 (0.45) PLA2G2ANOTUM
SCHEMBL5022790 0.77 CNR1 (0.44) CNR1CNR2
SCHEMBL5022381 0.71 PDE4D (0.53)
SCHEMBL5018089 0.70 CCR2 (0.50) PLA2G2ANOTUM
SCHEMBL3518278 0.69 CNR1 (0.66) CNR1CNR2
SCHEMBL5025322 0.69 AR (0.40) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR1 33/4885ACHE 340/4885PTGER4 128/4885
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 CNR1 33/4885ACHE 340/4885PTGER4 128/4885

“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.