SCHEMBL20147371

SCHEMBL20147371

CC(C)N1CCC(C)(NC(=O)CN2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 5/20 0.44
HRH3 Q9Y5N1 4/20 0.43
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL20147357 0.86 KDM4E (0.48) SIGMAR1ALDH1A1HRH3CYP3A4CYP2C19
SCHEMBL20070116 0.84 SIGMAR1 (0.46) SIGMAR1ALDH1A1HRH3POLBCYP3A4
SCHEMBL20147475 0.80 CCR1 (0.34) SIGMAR1HRH3
SCHEMBL20147467 0.78 TP53 (0.38) SIGMAR1ALDH1A1CYP3A4GAACYP2C19
SCHEMBL20147307 0.77 SIGMAR1 (0.32) SIGMAR1ALDH1A1HRH3
SCHEMBL20147372 0.76 HRH3 (0.34) SIGMAR1HRH3
SCHEMBL20147471 0.76 SIGMAR1 (0.37) SIGMAR1HRH3CYP3A4CYP2C19MEN1
SCHEMBL20147473 0.75 SIGMAR1 (0.33) SIGMAR1
SCHEMBL20147353 0.75 PIK3CD (0.40) SIGMAR1HRH3
SCHEMBL20069718 0.75 EPHX1 (0.39) SIGMAR1ALDH1A1HRH3

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 SIGMAR1 3807/4885ALDH1A1 2547/4885HRH3 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.