SCHEMBL5022752

SCHEMBL5022752

COc1c(C)cc(C(=O)O)c2c3cccc(Cl)c3n(CCC3CCCCC3)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.41
CNR2 P34972 4/20 0.40
CNR1 P21554 4/20 0.40
HTR4 Q13639 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
PTGER4 P35408 1/20 0.37
NOTUM Q6P988 1/20 0.37
FABP4 P15090 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PRPS1 P60891 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5022796 0.91 CNR1 (0.42) ACHECNR2CNR1HTR4SIGMAR1
SCHEMBL5022751 0.78 PRPS1 (0.43) ACHECNR2CNR1HTR4PRPS1
SCHEMBL5017993 0.77 FABP4 (0.45) NOTUMFABP4
SCHEMBL5022760 0.74 CNR1 (0.44) CNR2CNR1
SCHEMBL5025323 0.74 AR (0.41) ACHECNR1HTR4SIGMAR1PTGER4
SCHEMBL6071739 0.72 OPRM1 (0.39) ACHECNR2CNR1HTR4SIGMAR1
SCHEMBL5018089 0.69 CCR2 (0.50) NOTUMFABP4RXFP1
SCHEMBL5022790 0.68 CNR1 (0.44) CNR2CNR1
SCHEMBL5016529 0.65 DYRK1A (0.51) NOTUM
SCHEMBL5018020 0.65 ABCB11 (0.41) PTGER4NOTUMRXFP1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ACHE 340/4885CNR2 18/4885CNR1 33/4885

“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.