SCHEMBL1992376

SCHEMBL1992376

Cc1ccc(/C=C/c2cccc3c4c([nH]c23)C2CCN(CC2)C4)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ACKR3 P25106 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDK2 Q15119 3/20 0.31
PDK4 Q16654 2/20 0.31
PDK1 Q15118 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
SCHEMBL1989217 1.00 PADI4 (0.33) PADI4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1989220 1.00 PADI4 (0.33) PADI4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1993209 0.88 CHRNB2 (0.32) PADI4CHRNB2CHRNA3PDK2PDK4
SCHEMBL1993205 0.88 CHRNB2 (0.32) PADI4CHRNB2CHRNA3PDK2PDK4
SCHEMBL1990573 0.86 HRH1 (0.33) PADI4
SCHEMBL1990575 0.86 HRH1 (0.33) PADI4
SCHEMBL1992319 0.85 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1992322 0.85 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1995514 0.85 PADI4 (0.34) PADI4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1995516 0.85 PADI4 (0.34) PADI4CHRNB2CHRNB4CHRNA3CHRNA4

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 PADI4 1271/4885CHRNB2 522/4885CHRNB4 815/4885

“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.