SCHEMBL17808286

SCHEMBL17808286

CC(C)(C)OCCOc1cnc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
AAK1 Q2M2I8 6/20 0.33
S1PR4 O95977 1/20 0.32
CYP3A4 P08684 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL17808239 0.87 AR (0.39) AAK1S1PR4CYP3A4
SCHEMBL16455748 0.85 AAK1 (0.41) CNR1CNR2AAK1S1PR4
SCHEMBL17808279 0.85 PDE3B (0.39) AAK1S1PR4CYP3A4
SCHEMBL17808213 0.84 S1PR1 (0.38) AAK1S1PR4
SCHEMBL17808284 0.84 S1PR1 (0.38) AAK1S1PR4CYP3A4LRRK2
SCHEMBL17808214 0.82 HTT (0.37) AAK1S1PR4CYP3A4LRRK2
SCHEMBL17808262 0.80 AAK1 (0.32) AAK1LRRK2
SCHEMBL17808289 0.78 CYP11B1 (0.45) S1PR4
SCHEMBL17808241 0.78 HTR2A (0.39) AAK1CYP3A4LRRK2
SCHEMBL17808290 0.78 MAOA (0.38) S1PR4

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-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 CNR1 829/4885CNR2 2041/4885AAK1 1174/4885

“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.