SCHEMBL1992028

SCHEMBL1992028

Cc1ccc(C=Cc2ccc3c4c([nH]c3c2)C2CCN(CC2)C4)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.37
PADI4 Q9UM07 1/20 0.34
TLR8 Q9NR97 9/20 0.33
TLR7 Q9NYK1 9/20 0.33
TLR9 Q9NR96 7/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 1/20 0.31
BCHE P06276 1/20 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
SCHEMBL1992027 1.00 ACKR3 (0.37) ACKR3PADI4TLR8TLR7TLR9
SCHEMBL1990601 0.92 ACKR3 (0.37) ACKR3PADI4TLR8TLR7TLR9
SCHEMBL1990604 0.92 ACKR3 (0.37) ACKR3PADI4TLR8TLR7TLR9
SCHEMBL1992376 0.81 PADI4 (0.33) ACKR3PADI4ALDH1A1CHRNB2CHRNA3
SCHEMBL1989217 0.81 PADI4 (0.33) ACKR3PADI4ALDH1A1CHRNB2CHRNA3
SCHEMBL1989220 0.81 PADI4 (0.33) ACKR3PADI4ALDH1A1CHRNB2CHRNA3
SCHEMBL1993725 0.81 MTOR (0.36) ACKR3TLR8TLR7TLR9THRB
SCHEMBL1995516 0.81 PADI4 (0.34) ACKR3PADI4MEN1KMT2ANPC1
SCHEMBL1995514 0.81 PADI4 (0.34) ACKR3PADI4MEN1KMT2ANPC1
SCHEMBL1990575 0.80 HRH1 (0.33) PADI4TLR8TLR7TLR9

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
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-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US 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 ACKR3 1973/4885PADI4 1271/4885TLR8 3292/4885

“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.