SCHEMBL3638686

SCHEMBL3638686

CNC1CCc2ccc(-c3c(C)nn(COC)c3C)cc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
ACHE P22303 2/20 0.37
BRD4 O60885 7/20 0.36
IMPDH2 P12268 1/20 0.35
NR1I2 O75469 1/20 0.34
WDR5 P61964 6/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL3645179 0.88 PDPK1 (0.40) PDPK1ACHEBRD4IMPDH2NR1I2
SCHEMBL3640019 0.86 PDPK1 (0.38) PDPK1ACHEBRD4IMPDH2MAP4K1
SCHEMBL3681792 0.85 PDPK1 (0.37) PDPK1ACHEBRD4IMPDH2WDR5
SCHEMBL3638329 0.83 ACHE (0.38) ACHEBRD4IMPDH2WDR5JAK1
SCHEMBL3971413 0.83 BRD4 (0.36) BRD4
SCHEMBL3644335 0.82 PDPK1 (0.46) PDPK1ACHEBRD4MAP4K1
SCHEMBL3646416 0.82 PDPK1 (0.46) PDPK1ACHEBRD4MAP4K1
SCHEMBL3645878 0.82 PDPK1 (0.46) PDPK1ACHEBRD4MAP4K1
SCHEMBL3802781 0.79 PDPK1 (0.40) PDPK1ACHEBRD4IMPDH2WDR5
SCHEMBL13969925 0.78 ACHE (0.39) PDPK1ACHEBRD4IMPDH2WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232307-B2 Indane-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-31 US claimed
US-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US claimed
CN-101730683-A Indane-amine derivatives, their preparation and use as medicaments ESTEVE LABOR DR 2010-06-09 CN claimed
EP-2173712-A2 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-04-14 EP claimed
WO-2009003719-A2 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-08 WO claimed
EP-2011786-A1 Indane-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-07 EP claimed
US-8232307-B2 Indane-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-31 US disclosed
US-8232307-B2 Indane-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-31 US disclosed
US-8232307-B2 Indane-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-31 US disclosed
US-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US disclosed
US-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US disclosed
US-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US disclosed
CN-101730683-A Indane-amine derivatives, their preparation and use as medicaments ESTEVE LABOR DR 2010-06-09 CN disclosed
EP-2173712-A2 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-04-14 EP disclosed
WO-2009003719-A2 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-08 WO disclosed
EP-2011786-A1 Indane-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-07 EP disclosed
EP-2011786-A1 Indane-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-07 EP 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-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS INMT, IDO1, PNMT PDPK1 3083/4885ACHE 60/4885BRD4 1391/4885

“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.