SCHEMBL2239880

SCHEMBL2239880

CC(C)(C)OC(=O)N1CC[C@H](c2cccc(OCc3ccccc3)c2)[C@@H](C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.54
YAP1 P46937 3/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
PRMT5 O14744 4/20 0.47
PDE4B Q07343 2/20 0.45
GRIN1 Q05586 3/20 0.44
KCNH2 Q12809 1/20 0.44
USP30 Q70CQ3 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
STS P08842 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
SCHEMBL8266224 0.91 TACR1 (0.49) TACR1YAP1JAK2JAK1PRMT5
SCHEMBL10183269 0.91 TACR1 (0.49) TACR1YAP1JAK2JAK1PRMT5
SCHEMBL12054719 0.91 TACR1 (0.49) TACR1YAP1JAK2JAK1PRMT5
SCHEMBL2238462 0.90 TACR1 (0.51) TACR1YAP1JAK2JAK1PRMT5
SCHEMBL10182038 0.89 TACR1 (0.50) TACR1JAK2JAK1PDE4BUSP30
SCHEMBL10183376 0.88 TACR1 (0.50) TACR1YAP1JAK2JAK1PRMT5
SCHEMBL1752278 0.87 PDE4B (0.53) TACR1PDE4BUSP30GPR119STS
SCHEMBL12592451 0.87 PDE4B (0.53) TACR1PDE4BUSP30GPR119STS
SCHEMBL11306145 0.85 YAP1 (0.55) YAP1PRMT5KCNH2GPR119STS
SCHEMBL8265507 0.85 TACR1 (0.53) TACR1JAK2JAK1PDE4BUSP30

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
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 TACR1 157/4885YAP1 595/4885JAK2 913/4885

“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.