SCHEMBL20147357

SCHEMBL20147357

CC(C)N1CCC(C)(NC(=O)CN2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HRH3 Q9Y5N1 4/20 0.46
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.39

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
SCHEMBL17033153 0.87 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2MEN1CYP3A4TSHR
SCHEMBL20147364 0.86 MEN1 (0.49) SMN1; SMN2HRH3MEN1TSHRCYP2C19
SCHEMBL20147371 0.86 SIGMAR1 (0.47) SMN1; SMN2HRH3MEN1CYP3A4CYP2C19
SCHEMBL20147475 0.77 CCR1 (0.34) HRH3SIGMAR1
SCHEMBL20147467 0.76 TP53 (0.38) SMN1; SMN2CYP3A4CYP2C19SIGMAR1ALDH1A1
SCHEMBL20147307 0.75 SIGMAR1 (0.32) KDM4EHRH3SIGMAR1ALDH1A1
SCHEMBL20147471 0.74 SIGMAR1 (0.37) HRH3MEN1CYP3A4CYP2C19KMT2A
SCHEMBL20147372 0.74 HRH3 (0.34) HRH3SIGMAR1
SCHEMBL20069014 0.73 RET (0.36) HRH3ALDH1A1
SCHEMBL20147519 0.73 RET (0.40) KDM4ESMN1; SMN2HRH3TSHRALDH1A1

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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 KDM4E 547/4885SMN1; SMN2 646/4885HRH3 1000/4885

“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.