SCHEMBL21652040

SCHEMBL21652040

CC(C)NC(=O)OC1CCN(S)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
DPP4 P27487 2/20 0.39
EPHX1 P07099 2/20 0.39
UGT8 Q16880 1/20 0.38
MAOB P27338 1/20 0.36
KCNA3 P22001 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CCNE1 P24864 4/20 0.34
CDK2 P24941 4/20 0.34
RET P07949 1/20 0.34
CHRM3 P20309 2/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL20069009 0.84 CHRM3 (0.46) CYP3A4TSHRCYP2C19DPP4EPHX1
SCHEMBL22856991 0.83 CYP3A4 (0.39) CYP3A4TSHRCYP2C19DPP4EPHX1
SCHEMBL14501550 0.83 EPHX1 (0.47) CYP3A4TSHRCYP2C19DPP4EPHX1
SCHEMBL20147696 0.83 HRH3 (0.42) CYP3A4TSHRCYP2C19DPP4EPHX1
SCHEMBL8395605 0.81 EPHX1 (0.50) CYP3A4TSHRCYP2C19DPP4EPHX1
SCHEMBL8243916 0.81 EPHX1 (0.55) CYP3A4TSHRCYP2C19DPP4EPHX1
SCHEMBL11153395 0.80 EPHX1 (0.58) CYP3A4TSHRCYP2C19EPHX1KCNA3
SCHEMBL20158877 0.78 EPHX1 (0.41) CYP3A4TSHRCYP2C19DPP4EPHX1
SCHEMBL16669575 0.75 CHRM3 (0.42) CYP3A4TSHRCYP2C19DPP4EPHX1
SCHEMBL10150974 0.73 CHRM4 (0.40) CYP3A4TSHRCYP2C19DPP4EPHX1

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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CYP3A4 3760/4885TSHR 1441/4885CYP2C19 4137/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CYP3A4 3760/4885TSHR 1441/4885CYP2C19 4137/4885

“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.