SCHEMBL12005705

SCHEMBL12005705

CN1C[C@H]2CCN(c3ccc(N)cc3)[C@H]2C1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.72
KCNH2 Q12809 2/20 0.62
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ADRA2C P18825 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
PTK2B Q14289 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL4261818 1.00 HRH3 (0.72) HRH3KCNH2KDM4EALDH1A1GAA
SCHEMBL2884852 1.00 HRH3 (0.72) HRH3KCNH2KDM4EALDH1A1GAA
SCHEMBL13137465 0.87 HRH3 (0.77) HRH3KCNH2
SCHEMBL2410032 0.84 HRH3 (1.00) HRH3KCNH2
SCHEMBL8235020 0.84 HRH3 (0.72) HRH3KCNH2
SCHEMBL4920608 0.84 HRH3 (1.00) HRH3KCNH2
SCHEMBL4920616 0.84 HRH3 (1.00) HRH3KCNH2
SCHEMBL10435096 0.83 HRH3 (0.82) HRH3KCNH2
SCHEMBL3054355 0.83 HRH3 (0.71) HRH3KCNH2
SCHEMBL4754762 0.81 HRH3 (1.00) HRH3KCNH2

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-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 HRH3 1259/4885KCNH2 1593/4885KDM4E 482/4885

“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.