SCHEMBL1992193

SCHEMBL1992193

Brc1cccc2c3c([nH]c12)CN1CCC3CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 1/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNB2 P17787 2/20 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
SCHEMBL1992479 0.78 NISCH (0.44) NISCHKDM4EHSD17B10CTSKENPP3
SCHEMBL6277821 0.71 NISCH (0.47) NISCHKDM4EHSD17B10CTSKENPP3
SCHEMBL1988370 0.69 SIGMAR1 (0.67)
SCHEMBL1991064 0.68 KDM4E (0.39) KDM4EALDH1A1CHRM1CHRM3HTR2A
SCHEMBL1990991 0.68 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1995505 0.68 KDM4E (0.40) NISCHKDM4EHSD17B10CTSKENPP3
SCHEMBL12244152 0.68 HTR2A (0.49) KDM4EHTR2ACHRNA7MCHR1
Hydrochloric Acid SCHEMBL1987318 0.67 SIGMAR1 (0.59) NISCHKDM4EHSD17B10ENPP3ENPP1
SCHEMBL5422275 0.66 MAPT (0.45) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL6275705 0.66 NISCH (0.64) NISCHKDM4EHSD17B10CTSKALDH1A1

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 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.