SCHEMBL21486176

SCHEMBL21486176

CCCC(CC)C(=O)/C=C/CN1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
LMNA P02545 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.34
ELANE P08246 5/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL21482229 0.87 TSHR (0.36) TSHRLMNASLC6A3CHRM1AKR1A1
SCHEMBL21482372 0.82 CYP3A4 (0.37) CYP3A4
SCHEMBL20711853 0.79 ELANE (0.34) TSHRLMNAELANECHRM1CHRM3
SCHEMBL25807915 0.79 ELANE (0.34) TSHRLMNAELANECHRM1CHRM3
SCHEMBL18904825 0.78 ELANE (0.37) ELANECHRM1CHRM3MEN1CYP2C19
SCHEMBL21482241 0.76 ELANE (0.37) LMNAELANECHRM1CHRM3DRD3
SCHEMBL26575537 0.75 HDAC1 (0.50) TSHRSLC6A3CHRM1AKR1A1CHRM3
SCHEMBL15783540 0.74 ELANE (0.40) ELANECHRM1CHRM3DRD3MEN1
SCHEMBL17538514 0.73 ELANE (0.41) LMNAELANECHRM1DRD3MEN1
SCHEMBL17426070 0.71 ALDH1A1 (0.33) TSHRELANEMEN1CYP2C19KMT2A

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 2126/4885LMNA 4634/4885SLC6A4 3285/4885

“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.