SCHEMBL18702010

SCHEMBL18702010

CC(C)(C)C(=O)N1CCC(n2cnc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.44
CYP3A4 P08684 3/20 0.40
CXCR3 P49682 1/20 0.38
LRRK2 Q5S007 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SLC9A1 P19634 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
AOC2 O75106 1/20 0.34
RBP4 P02753 1/20 0.34
PDK2 Q15119 2/20 0.33
EPHX2 P34913 1/20 0.33
CYP3A5 P20815 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18711426 0.86 SPR (0.46) SPRCXCR3LRRK2KDM2BEPHX2
SCHEMBL18701930 0.73 SPR (0.47) SPRCYP3A4CYP2C9CYP2C19SLC9A1
SCHEMBL31625120 0.71 JAK2 (0.33) SPRLRRK2
SCHEMBL18702013 0.71 SPR (0.45) SPRCYP3A4CXCR3LRRK2CYP2C9
SCHEMBL18701766 0.71 F10 (0.41) SPRCYP3A4LRRK2CYP2C9CYP2C19
SCHEMBL18701764 0.70 GAA (0.48) CYP3A4LRRK2CYP2C9CYP2C19EPHX2
SCHEMBL31389544 0.69 CDK5 (0.36) SPR
SCHEMBL18711320 0.68 SPR (0.46) SPRCYP3A4CYP2C9CYP2C19SLC9A1
SCHEMBL10064776 0.68 CPB2 (0.35) KDM2BDRD2DRD4DRD3
SCHEMBL18702120 0.68 SPR (0.42) SPRCYP3A4LRRK2MEN1KMT2A

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 SPR 1/4885CYP3A4 436/4885CXCR3 998/4885

“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.