SCHEMBL1995505

SCHEMBL1995505

Brc1cccc2c3c([nH]c12)C1CCCN(C3)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NISCH Q9Y2I1 1/20 0.38
CTSK P43235 1/20 0.36
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
DYRK1A Q13627 2/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
OPRD1 P41143 1/20 0.32
SLC6A4 P31645 1/20 0.31
ACKR3 P25106 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL1992479 0.83 NISCH (0.44) KDM4EHSD17B10NISCHCTSKCCNB2
SCHEMBL1993205 0.71 CHRNB2 (0.32)
SCHEMBL2810244 0.70 SIRT1 (0.45) KDM4EHSD17B10
SCHEMBL12198083 0.69 ACKR3 (0.56) KDM4EACKR3DRD2
SCHEMBL1992193 0.68 NISCH (0.42) KDM4EHSD17B10NISCHCTSKCCNB2
SCHEMBL4156109 0.67 HSD17B10 (0.50) KDM4EHSD17B10NISCHCTSKCCNB2
SCHEMBL16433481 0.67 KDM4E (0.47) KDM4EHSD17B10NISCHKCNH2
SCHEMBL6283464 0.66 NISCH (0.50) KDM4EHSD17B10NISCHCTSKCCNB2
SCHEMBL4152218 0.66 DHODH (0.60) KDM4EHSD17B10NISCHCTSKCCNB2
SCHEMBL1991986 0.64

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 3 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
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 KDM4E 1041/4885HSD17B10 1023/4885NISCH 1039/4885

“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.