SCHEMBL9900381

SCHEMBL9900381

[c]1nccc(OC2CCNCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.43
ROCK1 Q13464 3/20 0.40
IKBKB O14920 3/20 0.39
SYK P43405 2/20 0.39
CHUK O15111 2/20 0.37
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
TDO2 P48775 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 1/20 0.34
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
ROCK2 O75116 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
PIM3 Q86V86 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
SCHEMBL558313 0.84 LOX (0.41)
SCHEMBL16792800 0.84 LOX (0.37)
SCHEMBL9900334 0.81 CHRNB2 (0.49) ROCK1IKBKBCHUKHTR1ASLC6A2
SCHEMBL933530 0.78 HRH3 (0.41) HTR1ASLC6A2SLC6A3TDO2KCNH2
SCHEMBL933847 0.73 CHRM1 (0.40)
SCHEMBL26665891 0.71 IKBKB (0.47) HRH1ROCK1IKBKBSYKCHUK
SCHEMBL16619789 0.70 HRH4 (0.39) HTR1ASLC6A2SLC6A3
SCHEMBL12614947 0.70 CHRM2 (0.42)
SCHEMBL29571238 0.69 HRH1 (0.55) HRH1ROCK1IKBKBSYKHTR1A
SCHEMBL716171 0.69 HRH1 (0.55) HRH1ROCK1IKBKBSYKHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 HRH1 4727/4885ROCK1 538/4885IKBKB 112/4885

“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.