SCHEMBL1975652

SCHEMBL1975652

CC(C)(C)OC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
PREP P48147 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
UCHL1 P09936 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL1967676 0.91 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL584834 0.91 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL585389 0.91 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL18313954 0.91 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL1975610 0.91 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL15151157 0.91 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL7722108 0.91 CHRM2 (0.45) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL23525346 0.88 HSD17B10 (0.50) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL12121160 0.88 HSD17B10 (0.50) CHRM2CHRM1CHRM3HSD17B10CYP1A2
SCHEMBL1994228 0.88 HSD17B10 (0.50) CHRM2CHRM1CHRM3HSD17B10CYP1A2

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-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 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-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 CHRM2 573/4885CHRM1 445/4885CHRM3 1024/4885

“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.