SCHEMBL1990575

SCHEMBL1990575

Cc1ccc(C=Cc2cc(F)cc3c4c([nH]c23)C2CCN(CC2)C4)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
CHRM4 P08173 6/20 0.32
PADI4 Q9UM07 1/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
TLR9 Q9NR96 1/20 0.31
SCD O00767 1/20 0.31
CDK9 P50750 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
SCHEMBL1990573 1.00 HRH1 (0.33) HRH1HTR6CHRM4PADI4TLR8
SCHEMBL1989220 0.86 PADI4 (0.33) PADI4
SCHEMBL1992376 0.86 PADI4 (0.33) PADI4
SCHEMBL1989217 0.86 PADI4 (0.33) PADI4
SCHEMBL1992027 0.80 ACKR3 (0.37) PADI4TLR8TLR7TLR9
SCHEMBL1992028 0.80 ACKR3 (0.37) PADI4TLR8TLR7TLR9
SCHEMBL1990601 0.80 ACKR3 (0.37) PADI4TLR8TLR7TLR9
SCHEMBL1990604 0.80 ACKR3 (0.37) PADI4TLR8TLR7TLR9
SCHEMBL1993611 0.77 CHRM4 (0.34) HRH1HTR6CHRM4
SCHEMBL1995514 0.76 PADI4 (0.34) PADI4CDK9

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 HRH1 68/4885HTR6 26/4885CHRM4 133/4885

“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.