SCHEMBL1990991

SCHEMBL1990991

Cc1ccc(/C=C/c2cccc3c4c([nH]c23)CN2CCC4CC2)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PADI4 Q9UM07 1/20 0.32
PDK2 Q15119 4/20 0.31
PDK4 Q16654 3/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 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
SCHEMBL1990993 1.00 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4PADI4
SCHEMBL1989217 0.84 PADI4 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4PADI4
SCHEMBL1989220 0.84 PADI4 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4PADI4
SCHEMBL1992376 0.84 PADI4 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4PADI4
SCHEMBL1990392 0.78 SIGMAR1 (0.46) PADI4
SCHEMBL1985618 0.78 SIGMAR1 (0.46) PADI4
SCHEMBL1985617 0.78 SIGMAR1 (0.46) PADI4
SCHEMBL1985517 0.78 SIGMAR1 (0.46) PADI4
SCHEMBL1990395 0.78 SIGMAR1 (0.46) PADI4
SCHEMBL1985516 0.78 SIGMAR1 (0.46) PADI4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRNB2 522/4885CHRNB4 815/4885CHRNA3 351/4885

“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.