SCHEMBL18702109

SCHEMBL18702109

CC(C)(C)C(=O)N1CCN(C(=O)C23CC(C(=O)O)(C2)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RBP4 P02753 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HSD11B1 P28845 3/20 0.35
MAPT P10636 2/20 0.33
SPR P35270 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL18701776 0.84 PKM (0.38) MEN1KMT2ARBP4SMN1; SMN2LMNA
SCHEMBL18701867 0.81 SPR (0.36) MEN1KMT2ARBP4SMN1; SMN2LMNA
SCHEMBL18711406 0.79 CYP1A2 (0.45) MEN1KMT2ARBP4SMN1; SMN2LMNA
SCHEMBL22442362 0.78 USP2 (0.47) MEN1KMT2ARBP4SMN1; SMN2LMNA
SCHEMBL18701906 0.78 HSD11B1 (0.37) MEN1KMT2ASMN1; SMN2LMNAHSD11B1
SCHEMBL5085265 0.77 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2LMNAHSD11B1
SCHEMBL5080851 0.77 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2LMNAHSD11B1
SCHEMBL5078687 0.77 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2LMNAHSD11B1
SCHEMBL10722471 0.76 MEN1 (0.52) MEN1KMT2ALMNAMAPTCKS1B
SCHEMBL673083 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR MEN1 4876/4885KMT2A 2884/4885RBP4 1128/4885

“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.