SCHEMBL17027142

SCHEMBL17027142

O=C1Nc2ccc(C(F)(F)F)cc2C12CCCC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.51
▸ PDE4A P27815 4/20 0.48
▸ PDE4B Q07343 4/20 0.48
▸ PDE4C Q08493 4/20 0.48
▸ PDE4D Q08499 4/20 0.48
▸ PDE3B Q13370 4/20 0.48
▸ PDE3A Q14432 4/20 0.48
▸ EPHX2 P34913 1/20 0.43
▸ TDP2 O95551 1/20 0.41

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
SCHEMBL31492425 0.97 PGR (0.51) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL31492452 0.94 PGR (0.49) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL30446355 0.88 BACE1 (0.47) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL25399999 0.79 PGR (0.58) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL29609794 0.79 PGR (0.58) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL12056346 0.78 PGR (0.49) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL4715658 0.78 PGR (0.59) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL5959182 0.76 EPHX2 (0.51) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL30445918 0.76 BACE1 (0.47) TDP2
SCHEMBL20269069 0.76 PGR (0.55) PGRPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 PGR 463/4885PDE4A 1557/4885PDE4B 1515/4885

“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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