SCHEMBL1991064

SCHEMBL1991064

Cc1ccc(CCc2cccc3c4c([nH]c23)CN2CCC4CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GRIN2B Q13224 2/20 0.34
HRH1 P35367 2/20 0.34
HTR6 P50406 2/20 0.34
BCHE P06276 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ACHE P22303 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1E P28566 1/20 0.34

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
SCHEMBL1991912 0.84 KDM4E (0.41) KDM4EALDH1A1TLR9TLR8TLR7
SCHEMBL1986397 0.78 SIGMAR1 (0.49) SIGMAR1
SCHEMBL1990993 0.77 CHRNB2 (0.33) TLR9TLR8TLR7PDK2PDK4
SCHEMBL1987166 0.77 ALDH1A1 (0.56) KDM4EALDH1A1GRIN2BHRH1HTR6
SCHEMBL1990991 0.77 CHRNB2 (0.33) TLR9TLR8TLR7PDK2PDK4
SCHEMBL1989342 0.72 TAAR1 (0.47) KDM4EALDH1A1GRIN2BHRH1HTR6
SCHEMBL1989716 0.69 TLR8 (0.42) KDM4EALDH1A1TLR9TLR8TLR7
SCHEMBL1992193 0.68 NISCH (0.42) KDM4EALDH1A1HTR2ACHRM1ALOX5
SCHEMBL12425273 0.66 HTR6 (0.55) KDM4EALDH1A1GRIN2BHRH1HTR6
SCHEMBL12426708 0.65 MCHR1 (0.39) KDM4EALDH1A1TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP claimed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP disclosed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US disclosed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US 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-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES IDO2, IDO1, TPH2 KDM4E 1041/4885ALDH1A1 1116/4885TLR9 3310/4885

“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.