SCHEMBL3971413

SCHEMBL3971413

COCn1nc(C)c(-c2ccc3c(c2)C(CN)CC3)c1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MTNR1A P48039 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAP3K14 Q99558 3/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31
NQO2 P16083 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL3975536 0.88 ADRA2A (0.38) BRD4ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3975549 0.86 ADRA2A (0.36) BRD4ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3638329 0.85 ACHE (0.38) BRD4BRD2BRD3BRDT
SCHEMBL3681790 0.85 ADRA2A (0.36) BRD4ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3638686 0.83 PDPK1 (0.37) BRD4
SCHEMBL4083212 0.80 ADRA2A (0.37) BRD4ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3969967 0.79 ACHE (0.32) BRD4ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3645246 0.73 ADRA2A (0.46) BRD4ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3643803 0.73 BRD4 (0.58) BRD4BRD2BRD3BRDT
SCHEMBL3976784 0.72 MKNK1 (0.41) BRD4ADRA2AADRA2BADRA2CADRA1D

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-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
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-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 BRD4 1391/4885ADRA2A 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.