SCHEMBL18824973

SCHEMBL18824973

CC1(C)CCC(Oc2ccc(N)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CARM1 Q86X55 1/20 0.38
PRMT1 Q99873 1/20 0.38
SCN9A Q15858 1/20 0.37
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL31508140 0.87 ALDH1A1 (0.43) PTGS1PTGS2ALDH1A1BACE1BACE2
SCHEMBL22289350 0.83 PTGS1 (0.51) PTGS1PTGS2ALDH1A1BACE1BACE2
SCHEMBL12355278 0.83 PTGS1 (0.42) PTGS1PTGS2ALDH1A1BACE1BACE2
SCHEMBL16513840 0.80 HRH3 (0.50) PTGS1PTGS2HRH3HTR2CHTR2B
SCHEMBL24750246 0.79 ALDH1A1 (0.51) ALDH1A1CARM1PRMT1BACE1APP
SCHEMBL18824873 0.77 ATM (0.46) PTGS1PTGS2ALDH1A1SCN9AHRH3
SCHEMBL12355288 0.77 PTGS1 (0.46) PTGS1PTGS2BACE1BACE2HRH3
SCHEMBL2397276 0.76 CARM1 (0.47) ALDH1A1CARM1PRMT1SCN9ABACE1
SCHEMBL12021829 0.76 ALDH1A1 (0.39) PTGS1PTGS2ALDH1A1BACE1BACE2
SCHEMBL4170069 0.75 SLC6A3 (0.55) HTR2ASLC6A2SLC6A4SLC6A3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357035-B2 Microbiocidal anilide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2019-07-23 US disclosed
US-20180317482-A1 MICROBIOCIDAL ANILIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-11-08 US disclosed
EP-3371153-A1 MICROBIOCIDAL ANILIDE DERIVATIVES Syngenta Participations AG (CH) 2018-09-12 EP disclosed
WO-2017076982-A1 MICROBIOCIDAL ANILIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-05-11 WO 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 (2 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-10357035-B2 Microbiocidal anilide derivatives MSR1, ARG1, ARG2 PTGS1 1867/4885PTGS2 2864/4885ALDH1A1 396/4885
US-20180317482-A1 MICROBIOCIDAL ANILIDE DERIVATIVES MSR1, ARG1, ARG2 PTGS1 1867/4885PTGS2 2864/4885ALDH1A1 396/4885

“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.