SCHEMBL19757660

SCHEMBL19757660

CC(C)[C@H](OCC1CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CHRNA7 P36544 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36

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
SCHEMBL22474188 0.83 SIGMAR1 (0.38) SIGMAR1
SCHEMBL17896242 0.83 SIGMAR1 (0.38) SIGMAR1
SCHEMBL17900613 0.81 CYP3A4 (0.35) GPR88ACACBACACA
SCHEMBL17900550 0.78 GPR88 (0.38) GPR88FFAR1PTGS2ACACBACACA
SCHEMBL22394295 0.78 ADRA2A (0.39) GPR88CHRNA7
SCHEMBL22474334 0.70 GPR88 (0.40) GPR88
SCHEMBL14667606 0.70 MME (0.45) SIGMAR1
SCHEMBL19757670 0.69 CYP1A2 (0.49) PTGS2ACACBACACACHRNB2CHRNA4
SCHEMBL17900617 0.68 PTGIR (0.40) GPR88
SCHEMBL15730472 0.67 GAA (0.47) GPR88FFAR1CHRNA7

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-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 — — 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 (4 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-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 GPR88 3703/4885FFAR1 863/4885PTGS2 1590/4885
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 GPR88 3632/4885FFAR1 1185/4885PTGS2 1596/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 GPR88 3604/4885FFAR1 1072/4885PTGS2 1372/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 GPR88 3531/4885FFAR1 1116/4885PTGS2 1618/4885

“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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