SCHEMBL1992322

SCHEMBL1992322

C(=Cc1cccc2c3c([nH]c12)C1CCN(CC1)C3)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
TDO2 P48775 4/20 0.42
CREBBP Q92793 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IDO1 P14902 1/20 0.35
ERBB2 P04626 1/20 0.34
KDR P35968 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL1992319 1.00 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4TDO2
SCHEMBL1989869 0.89 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4TDO2
SCHEMBL1989873 0.89 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4TDO2
SCHEMBL1991176 0.89 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4TDO2
SCHEMBL1991067 0.88 BRD4 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CREBBP
SCHEMBL1991068 0.88 BRD4 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CREBBP
SCHEMBL1994667 0.87 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CREBBP
SCHEMBL1994668 0.87 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CREBBP
SCHEMBL1989220 0.85 PADI4 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1989217 0.85 PADI4 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4

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 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.