SCHEMBL11912151

SCHEMBL11912151

C[C@H]1C[C@@H](O)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTR2C P28335 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.47
HTT P42858 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL10285807 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL5787375 0.90 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL1870162 0.90 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL14372548 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL16525824 0.88 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL603957 0.87 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL23186133 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL13330343 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL1439624 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL2379232 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CMEN1

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-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 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-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 SMN1; SMN2 3818/4885NPC1 1582/4885RAB9A 3326/4885

“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.