SCHEMBL20997774

SCHEMBL20997774

CCS(=O)(=O)c1ccc(C2(C#N)CC2)nc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ DDR1 Q08345 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
SCHEMBL29904938 0.85 POLB (0.39) DDR1
SCHEMBL17844190 0.85 POLB (0.39) DDR1
SCHEMBL17949388 0.85 S1PR1 (0.33) DDR1
SCHEMBL21434183 0.83 DRD2 (0.32) DRD2DRD3
SCHEMBL31686852 0.83 DRD2 (0.32) DRD2DRD3
SCHEMBL20997940 0.82 PTGS2 (0.31) DDR1
SCHEMBL21930786 0.80 DDR1 (0.32) DDR1
SCHEMBL18506217 0.80 CYP11B1 (0.35) DDR1
SCHEMBL31141510 0.80 CYP11B1 (0.35) DDR1
SCHEMBL25885701 0.79 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-05-16 — — 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-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR DRD2 1543/4885DRD3 854/4885DDR1 4383/4885

“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.

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