SCHEMBL3645250

SCHEMBL3645250

CNC1CCc2ccc(-c3c(C)cccc3C)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
ACHE P22303 2/20 0.43
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDM1A O60341 1/20 0.37
DRD2 P14416 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR7 P34969 1/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36
BRD4 O60885 1/20 0.36
BMX P51813 1/20 0.36
ABL1 P00519 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL11948890 0.87 PDPK1 (0.43) PDPK1ACHEMAOAMAOBKDM1A
SCHEMBL3637423 0.87 PDPK1 (0.51) PDPK1ACHEGRIA1CACNG8MAOA
SCHEMBL3647137 0.84 PDPK1 (0.51) PDPK1ACHEMAOAMAOBKDM1A
SCHEMBL3642763 0.82 PDPK1 (0.49) PDPK1ACHEMAOAMAOBKDM1A
SCHEMBL3645819 0.81 PDPK1 (0.48) PDPK1ACHEMAOAMAOBKDM1A
SCHEMBL13959481 0.79 PDPK1 (0.43) PDPK1ACHEGRIA1CACNG8MAOA
SCHEMBL3642023 0.79 GRIA1 (0.44) PDPK1ACHEGRIA1CACNG8MAOA
SCHEMBL3643805 0.78 BRD4 (0.57) PDPK1BRD4
SCHEMBL3640408 0.77 BRD4 (0.45) PDPK1ACHEJAK2JAK1TYK2
SCHEMBL3642384 0.77 HTR7 (0.45) ACHEGRIA1CACNG8MAOAMAOB

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 18 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
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 60/4885GRIA1 1166/4885

“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.