SCHEMBL18702013

SCHEMBL18702013

CC(C)(C)C(=O)N1CCC(n2ccnc2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.45
CYP3A4 P08684 3/20 0.42
CXCR3 P49682 1/20 0.38
CYP2C9 P11712 1/20 0.37
SLC9A1 P19634 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP3A5 P20815 1/20 0.35
LRRK2 Q5S007 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
OPRD1 P41143 1/20 0.35
LMNA P02545 1/20 0.34
F10 P00742 1/20 0.33
MEN1 O00255 1/20 0.33
IDE P14735 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL18711316 0.86 SPR (0.46) SPRCXCR3SLC9A1LRRK2LMNA
SCHEMBL18702120 0.81 SPR (0.42) SPRCYP3A4LRRK2OPRD1LMNA
SCHEMBL18701933 0.76 SPR (0.45) SPRCYP3A4CXCR3CYP2C9SLC9A1
Methane SCHEMBL27920978 0.72 LMNA (0.40) SPRCYP2C9CYP2C19LMNA
SCHEMBL18711320 0.71 SPR (0.46) SPRCYP3A4CYP2C9SLC9A1CYP2C19
SCHEMBL18702010 0.71 SPR (0.44) SPRCYP3A4CXCR3CYP2C9SLC9A1
SCHEMBL18702227 0.70 SPR (0.41) SPRCYP3A4LMNAMEN1KMT2A
SCHEMBL16828068 0.69 PDK2 (0.53) PDK2
SCHEMBL16828064 0.69 PDK2 (0.53) PDK2
SCHEMBL18701931 0.69 MEN1 (0.39) SPRCYP3A4CXCR3CYP2C9SLC9A1

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.