SCHEMBL1992479

SCHEMBL1992479

Brc1cccc2c3c([nH]c12)C1CCN(CC1)C3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSK P43235 1/20 0.38
CDK1 P06493 2/20 0.36
GSK3B P49841 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
ACKR3 P25106 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
OPRD1 P41143 1/20 0.34
SLC6A4 P31645 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL1991986 0.79
SCHEMBL1992193 0.78 NISCH (0.42) NISCHKDM4EHSD17B10CTSKCDK1
SCHEMBL1991893 0.76 CDK4 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2814972 0.75 ACKR3 (0.58) KDM4EACKR3CHRNA7AURKA
SCHEMBL1990846 0.73 PIK3CG (0.46) SLC6A4
SCHEMBL1989585 0.72 DHODH (0.48) KDM4EHSD17B10CDK1GSK3BCDK5
SCHEMBL1989539 0.72 ACKR3 (0.40) CDK1GSK3BCDK5CDK5R1ACKR3
SCHEMBL1991068 0.72 BRD4 (0.36) KDM4EHSD17B10ACKR3CHRNB2CHRNA4
SCHEMBL1990084 0.72 PTGES (0.34) CTSKACKR3CHRNB2CHRNA4CHRNB4
SCHEMBL1990763 0.72 NFE2L2 (0.37) KDM4EACKR3CHRNB2CHRNA4CHRNB4

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 5 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 disclosed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US disclosed
EP-2516440-A1 BRIDGEHEAD AMINE RING -FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRY DISORDERS Abbott Laboratories (US) 2012-10-31 EP disclosed
WO-2011075487-A1 BRIDGEHEAD AMINE RING -FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRY DISORDERS ABBOTT LABORATORIES (US) 2011-06-23 WO 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 NISCH 1039/4885KDM4E 1041/4885HSD17B10 1023/4885

“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.