SCHEMBL4514314

SCHEMBL4514314

N#Cc1ccc2c(c1)Oc1ccccc1C2C1CC2CCC(C1)N2C(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ PGR P06401 6/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL4519627 0.85 GPR119 (0.47) HSD17B1HSD17B2GPR119
SCHEMBL5090995 0.84 HSD17B1 (0.46) HSD17B1HSD17B2PGRRBP4KDM1A
SCHEMBL4511597 0.84 PGR (0.35) HSD17B1HSD17B2HTR2AHTR2CPGR
SCHEMBL3966628 0.77 HSD17B1 (0.37) HSD17B1HSD17B2GPR119KDM1A
SCHEMBL4507773 0.76 PRCP (0.32) HSD17B1HSD17B2PGR
SCHEMBL4507868 0.76 SLC6A2 (0.44) HSD17B1HSD17B2HTR2AHTR2CDRD2
SCHEMBL14012602 0.76 HSD17B1 (0.43) HSD17B1HSD17B2DRD2DRD3KDM1A
SCHEMBL1764996 0.72 DRD2 (0.45) DRD2DRD3GRIN2BMGLL
SCHEMBL1764998 0.72 DRD2 (0.45) DRD2DRD3GRIN2BMGLL
SCHEMBL4513701 0.69 CHRM1 (0.41) GPR119RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 — — 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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 HSD17B1 769/4885HSD17B2 920/4885HTR2A 300/4885

“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.

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