SCHEMBL9900334

SCHEMBL9900334

[c]1nccc(OC2CCCNC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
ROCK1 Q13464 7/20 0.45
ROCK2 O75116 4/20 0.44
KCNH2 Q12809 1/20 0.44
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
CDC42BPB Q9Y5S2 2/20 0.38
CDC42BPA Q5VT25 1/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
PRKCI P41743 1/20 0.37
PRKX P51817 1/20 0.37
PRKCE Q02156 1/20 0.37

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
SCHEMBL16792800 0.82 LOX (0.37)
SCHEMBL558313 0.82 LOX (0.41)
SCHEMBL9900381 0.81 HRH1 (0.43) CHRNB2CHRNA4ROCK1ROCK2KCNH2
SCHEMBL26668368 0.75 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1ROCK2KCNH2
SCHEMBL26665874 0.75 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1ROCK2KCNH2
Hydrochloric Acid SCHEMBL26599939 0.73 CHRNB2 (0.52) CHRNB2CHRNA4ROCK1ROCK2KCNH2
Hydrochloric Acid SCHEMBL26601029 0.73 CHRNB2 (0.52) CHRNB2CHRNA4ROCK1ROCK2KCNH2
Hydrochloric Acid SCHEMBL26599953 0.73 CHRNB2 (0.52) CHRNB2CHRNA4ROCK1ROCK2KCNH2
SCHEMBL3984986 0.73 CHRNB2 (0.55) CHRNB2CHRNA4ROCK1ROCK2KCNH2
Hydrochloric Acid SCHEMBL3296534 0.72 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1ROCK2KCNH2

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 CHRNB2 4878/4885CHRNA4 4880/4885ROCK1 538/4885

“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.