SCHEMBL8227246

SCHEMBL8227246

C=Cc1cccc2c1CN(C(=O)O[C@@H]1C[C@@H](C(=O)OC)N(C(=O)C(N)C(F)(F)F)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 5/20 0.38
PEPD P12955 3/20 0.34
XPNPEP1 Q9NQW7 1/20 0.34
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
CYP19A1 P11511 1/20 0.32
SLC6A9 P48067 1/20 0.30
DPP4 P27487 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
SCHEMBL16418965 0.87 ABHD6 (0.34) ABHD6PEPDXPNPEP1DPP8DPP9
Hydrochloric Acid SCHEMBL2744138 0.85 DPP8 (0.41) ABHD6PEPDXPNPEP1DPP8DPP9
Hydrochloric Acid SCHEMBL2743704 0.85 DPP8 (0.47) PEPDXPNPEP1DPP8DPP9DPP7
SCHEMBL1050056 0.84 DDB1 (0.41) ABHD6CYP19A1
SCHEMBL882048 0.84 DDB1 (0.41) ABHD6CYP19A1
SCHEMBL14615804 0.82 DDB1 (0.38) ABHD6CYP19A1
SCHEMBL15213290 0.82 ELANE (0.43) CYP19A1
SCHEMBL16413340 0.82 ELANE (0.43) CYP19A1
SCHEMBL2744253 0.81 DPP8 (0.32) DPP8DPP9DPP7CYP19A1DPP4
SCHEMBL2429328 0.81 ABHD6 (0.32) ABHD6CYP19A1

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
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 WO 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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 ABHD6 3780/4885PEPD 2146/4885XPNPEP1 2091/4885

“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.