SCHEMBL521464

SCHEMBL521464

CC(C)(C)OC(=O)N1CCC(O)(c2cccc(N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TACR1 P25103 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
GPR119 Q8TDV5 3/20 0.45
USP30 Q70CQ3 1/20 0.44
FAAH O00519 1/20 0.43
KDM1A O60341 1/20 0.43
PDK2 Q15119 1/20 0.43
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL7831565 0.86 GPR119 (0.54) TSHRALOX15ATMALDH1A1TACR1
SCHEMBL4412901 0.85 OPRD1 (0.51) NR1H2TSHRALOX15ATMALDH1A1
SCHEMBL3028439 0.85 STS (0.50) TSHRALOX15ATMALDH1A1TACR1
SCHEMBL4293214 0.85 OPRM1 (0.49) TSHRALOX15ATMALDH1A1TACR1
SCHEMBL29892887 0.85 STS (0.50) TSHRALOX15ATMALDH1A1TACR1
SCHEMBL19690249 0.85 TSHR (0.46) TSHRALOX15ATMALDH1A1TACR1
SCHEMBL15379660 0.84 NR1H2 (0.49) NR1H2TSHRALOX15ATMALDH1A1
SCHEMBL240381 0.84 TSHR (0.57) TSHRALOX15ATMALDH1A1TACR1
SCHEMBL8610935 0.84 USP30 (0.56) NR1H2TSHRALOX15ATMALDH1A1
SCHEMBL5240524 0.84 ALDH1A1 (0.65) TSHRALOX15ATMALDH1A1OPRD1

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 NR1H2 3126/4885TSHR 2182/4885ALOX15 1059/4885

“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.