SCHEMBL83703

SCHEMBL83703

CC(C)(C)C(=O)Nc1ccc(F)cc1C1(O)CCN(CCCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
DRD2 P14416 5/20 0.44
CCR3 P51677 3/20 0.42
CCR1 P32246 2/20 0.42
CACNA1G O43497 1/20 0.42
KCNA3 P22001 1/20 0.42
FAAH O00519 1/20 0.41
DRD3 P35462 2/20 0.41
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL73284 0.88 MEN1 (0.49) SIGMAR1CCR3CACNA1G
SCHEMBL73170 0.77 CCR3 (0.51) SIGMAR1DRD2CCR3CACNA1GDRD3
SCHEMBL73520 0.73 DRD2 (0.46) SIGMAR1DRD2CCR3CCR1
SCHEMBL28794232 0.72 SIGMAR1 (0.45) SIGMAR1DRD2
SCHEMBL10917431 0.69 POLB (0.42) DRD2DRD1
SCHEMBL13864827 0.68 DRD2 (0.40) DRD2
SCHEMBL8096481 0.68 SIGMAR1 (1.00) SIGMAR1DRD2CCR3KCNA3DRD3
SCHEMBL83668 0.67 CETP (0.44)
SCHEMBL74825 0.66 CCNT1 (0.49) DRD2HTR1AHTR2A
SCHEMBL6967833 0.66 OPRL1 (0.56) DRD2CCR3DRD3DRD4

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-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 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-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 SIGMAR1 511/4885DRD2 1922/4885CCR3 808/4885

“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.