SCHEMBL20711853

SCHEMBL20711853

CC[C@@H](C)C(=O)/C=C/CN1CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CHRM1 P11229 1/20 0.33
EPHX2 P34913 2/20 0.31
CHRM2 P08172 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD3 P35462 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL25807915 1.00 ELANE (0.34) ELANEMEN1CYP2C19KMT2ASIGMAR1
SCHEMBL21482241 0.97 ELANE (0.37) ELANEMEN1CYP2C19KMT2ASIGMAR1
SCHEMBL18904825 0.85 ELANE (0.37) ELANEMEN1CYP2C19KMT2ASIGMAR1
SCHEMBL15783540 0.82 ELANE (0.40) ELANEMEN1CYP2C19KMT2ASIGMAR1
SCHEMBL17538514 0.80 ELANE (0.41) ELANEMEN1CYP2C19KMT2ASIGMAR1
SCHEMBL18557449 0.80 DPP4 (0.30)
SCHEMBL21486176 0.79 TSHR (0.38) ELANEMEN1CYP2C19KMT2ASIGMAR1
SCHEMBL18869117 0.79 DPP4 (0.33)
SCHEMBL23325927 0.76 ELANE (0.39) ELANEMEN1CYP2C19KMT2ASIGMAR1
SCHEMBL18354982 0.75 KDM4E (0.36) MEN1CYP2C19KMT2ACYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 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 (2 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-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 ELANE 2864/4885MEN1 3327/4885CYP2C19 515/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 ELANE 2864/4885MEN1 3327/4885CYP2C19 515/4885

“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.