SCHEMBL20876294

SCHEMBL20876294

C[CH]C1(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A2 P23975 1/20 0.49
OPRM1 P35372 2/20 0.49
OPRL1 P41146 2/20 0.49
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
DAO P14920 1/20 0.36
PDE2A O00408 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL15043678 0.84 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2OPRM1OPRL1
SCHEMBL3170202 0.81 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2OPRM1OPRL1
SCHEMBL3516282 0.80 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2OPRM1OPRL1
SCHEMBL626533 0.78 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2OPRM1OPRL1
SCHEMBL15042320 0.77 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2OPRM1OPRL1
SCHEMBL27871106 0.77 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL22361952 0.75 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL497967 0.74 OPRM1 (0.46) SLC6A3SLC6A4SLC6A2OPRM1OPRL1
SCHEMBL12047029 0.73 MAOA (0.44) SLC6A3SLC6A4SLC6A2OPRM1OPRL1
SCHEMBL20876275 0.73 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2

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-20200267977-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-27 US disclosed
EP-3692019-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES Syngenta Participations AG (CH) 2020-08-12 EP disclosed
CN-111183133-A Microbicidal picolinamide derivatives 先正达参股股份有限公司 2020-05-19 CN disclosed
WO-2019068812-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-04-11 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 (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-20200267977-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES PRF1, CASP1, FPR1 SLC6A3 3866/4885SLC6A4 3476/4885SLC6A2 3920/4885

“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.