SCHEMBL18320062

SCHEMBL18320062

Nc1cc(Br)cc2c1NC(=O)C21CCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ PGR P06401 5/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 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
SCHEMBL20267946 0.81 PGR (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16849905 0.77 PDE7A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31430376 0.73 PDE7A (0.37) PDE4APDE4BPDE4CPDE4DPDE3A
SCHEMBL4813479 0.73 PGR (0.41) PGRALDH1A1LMNATP53HTT
SCHEMBL16849927 0.71 KMT2A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5499005 0.70 PGR (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16849925 0.69 PDK2 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31492415 0.68 PGR (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16849901 0.68 PDK2 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16849903 0.68 CAMK1D (0.40) PDE4APDE4BPDE4CPDE4DPDE3B

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-10336697-B2 Spiro[cyclobutane-1,3′-indolin]-2′-one derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2019-07-02 — — US disclosed
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2018-07-05 — — US disclosed
WO-2018109271-A1 NEW BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2018-06-21 — — WO disclosed
EP-3310772-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS Orion Corporation (FI) 2018-04-25 — — EP disclosed
WO-2016203112-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — WO disclosed
WO-2016203112-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — 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 (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-10336697-B2 Spiro[cyclobutane-1,3′-indolin]-2′-one derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 PDE4A 1276/4885PDE4B 1550/4885PDE4C 2178/4885
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 PDE4A 1285/4885PDE4B 1548/4885PDE4C 2172/4885

“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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