SCHEMBL3181242

SCHEMBL3181242

O=C(Cl)[C@H]1CCCN1C(=O)CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.41
▸ PREP P48147 1/20 0.39
▸ CHRM3 P20309 2/20 0.37
▸ PEPD P12955 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
SCHEMBL3181235 1.00 ACE (0.41) ACEPREPCHRM3PEPD
SCHEMBL30975227 0.83 DPP4 (0.48) ACE
SCHEMBL7333354 0.77 LMNA (0.41) ACE
SCHEMBL247604 0.77 LMNA (0.41) ACE
SCHEMBL2036130 0.77 LMNA (0.41) ACE
SCHEMBL27922142 0.76 RAB9A (0.44) PREPPEPD
SCHEMBL28211348 0.76 ACE (0.43) ACE
SCHEMBL11644333 0.75 LMNA (0.40) ACE
SCHEMBL3739768 0.72 ACE (0.44) ACE
SCHEMBL3721142 0.72 ACE (0.44) ACE

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-7816406-B2 Quinolone analogs CYLENE PHARMACEUTICALS, INC. (US) 2010-10-19 — — US disclosed
US-7652134-B2 Tumor suppression agents with reduced side effects; anticancer; antibacterial and antiviral; contacting the corresponding ester with an amine and a Lewis acid CYLENE PHARMACEUTICALS, INC. (US) 2010-01-26 — — US disclosed
EP-1802306-A2 QUINOLONE ANALOG AS CELL PROLIFERATION INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2007-07-04 — — EP disclosed
US-20060074089-A1 Quinolone analogs SENHWA BIOSCIENCES, INC. (TW) 2006-04-06 — — US disclosed
WO-2006034113-A2 QUINOLONE ANALOGS AS CELL PROLIFERATION INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2006-03-30 — — WO disclosed
US-20060063761-A1 Novel benzothiazole compounds and methods of use thereof SENHWA BIOSCIENCES, INC. (TW) 2006-03-23 — — 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-20060063761-A1 Novel benzothiazole compounds and methods of use thereof MLNR, CCKBR, CYP2B6 ACE 3569/4885PREP 4249/4885CHRM3 362/4885
US-20060074089-A1 Quinolone analogs NQO2, BAX, MCL1 ACE 2536/4885PREP 1788/4885CHRM3 4651/4885

“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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