SCHEMBL3969967

SCHEMBL3969967

Cc1nn(CC(C)C)c(C)c1-c1ccc2c(c1)C(CN)CC2.Cc1nn(CC(C)C)c(C)c1-c1ccc2c(c1)C(N(C)C)CC2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
BRD4 O60885 4/20 0.31

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
SCHEMBL3681790 0.93 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3803130 0.93 ACHE (0.36) ACHEPGRNR3C2ARJAK2
SCHEMBL3647479 0.82 ACHE (0.38) ACHEJAK2JAK1TYK2JAK3
SCHEMBL3975536 0.82 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3639432 0.80 ACHE (0.37) ACHEADRA2AADRA2BPGRNR3C2
SCHEMBL3975549 0.80 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3971413 0.79 BRD4 (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3638329 0.79 ACHE (0.38) ACHEJAK2JAK1TYK2JAK3
SCHEMBL4083212 0.79 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3681193 0.78 ACHE (0.38) ACHEADRA2AADRA2BJAK2JAK1

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-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
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 ACHE 60/4885ADRA2A 32/4885ADRA2B 70/4885

“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.