SCHEMBL1990604

SCHEMBL1990604

Cc1ccc(C=Cc2ccc3[nH]c4c(c3c2)CN2CCC4CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.37
TLR8 Q9NR97 18/20 0.37
TLR7 Q9NYK1 18/20 0.37
TLR9 Q9NR96 14/20 0.37
PADI4 Q9UM07 1/20 0.36

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
SCHEMBL1990601 1.00 ACKR3 (0.37) ACKR3TLR8TLR7TLR9PADI4
SCHEMBL1992027 0.92 ACKR3 (0.37) ACKR3TLR8TLR7TLR9PADI4
SCHEMBL1992028 0.92 ACKR3 (0.37) ACKR3TLR8TLR7TLR9PADI4
SCHEMBL1989716 0.83 TLR8 (0.42) ACKR3TLR8TLR7TLR9
SCHEMBL1992376 0.81 PADI4 (0.33) ACKR3PADI4
SCHEMBL1989220 0.81 PADI4 (0.33) ACKR3PADI4
SCHEMBL1989217 0.81 PADI4 (0.33) ACKR3PADI4
SCHEMBL1995514 0.81 PADI4 (0.34) ACKR3PADI4
SCHEMBL1995516 0.81 PADI4 (0.34) ACKR3PADI4
SCHEMBL1990575 0.80 HRH1 (0.33) TLR8TLR7TLR9PADI4

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 1973/4885TLR8 3292/4885TLR7 2184/4885

“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.