SCHEMBL21486158

SCHEMBL21486158

CCN1CCC[C@@H](C(=O)NC(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
BCHE P06276 4/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM2B Q8NHM5 1/20 0.42
LMNA P02545 1/20 0.42
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 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
SCHEMBL20381996 0.92 SMN1; SMN2 (0.51) TSHRBCHEKDM4EGAACYP2C9
SCHEMBL26999697 0.83 BCHE (0.52) TSHRBCHEKDM4EKMT2ASMN1; SMN2
SCHEMBL24777711 0.83 BCHE (0.68) TSHRBCHEKDM4EKMT2ASMN1; SMN2
SCHEMBL8820146 0.83 BCHE (0.52) TSHRBCHEKDM4EKMT2ASMN1; SMN2
SCHEMBL441659 0.82 BCHE (0.69) TSHRBCHEKDM4ECYP2C9SMN1; SMN2
SCHEMBL3461210 0.82 BCHE (0.51) BCHEKDM4EGAASMN1; SMN2KDM2B
SCHEMBL20962701 0.81 SMN1; SMN2 (0.58) TSHRGAAMEN1KMT2ASMN1; SMN2
SCHEMBL25570176 0.79 BCHE (0.49) TSHRBCHEKDM4EGAAMEN1
SCHEMBL25570904 0.79 BCHE (0.49) TSHRBCHEKDM4EGAAMEN1
SCHEMBL3315913 0.78 TSHR (0.62) TSHRBCHEKDM4EGAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-17 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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 TSHR 2126/4885BCHE 4720/4885KDM4E 1554/4885

“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.