SCHEMBL18701906

SCHEMBL18701906

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.37
SPR P35270 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
DPP4 P27487 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL18711882 0.81 CYP1A2 (0.41) HSD11B1SPRMEN1KMT2AMAPT
SCHEMBL18702109 0.78 MEN1 (0.41) HSD11B1SPRMEN1KMT2AMAPT
SCHEMBL18701776 0.77 PKM (0.38) HSD11B1SPRMEN1KMT2AMAPT
SCHEMBL18701867 0.74 SPR (0.36) HSD11B1SPRMEN1KMT2AMAPT
SCHEMBL10722471 0.72 MEN1 (0.52) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL673083 0.72
SCHEMBL18701696 0.69 VNN1 (0.42) HSD11B1SPRMEN1KMT2ADPP4
SCHEMBL18702124 0.66 KMT2A (0.39) HSD11B1MEN1KMT2ADPP4MAPT
SCHEMBL18701829 0.66 CYP3A4 (0.37) SPRMEN1KMT2ADPP4ALDH1A1
SCHEMBL18701650 0.66 CYP3A4 (0.40) SPRMEN1KMT2ADPP4ALDH1A1

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 HSD11B1 375/4885SPR 1/4885MEN1 4876/4885

“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.