SCHEMBL19599284

SCHEMBL19599284

CC(C)(C)CCc1ccc(CC2CN[C@H](C(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 6/20 0.47
▸ ARG1 P05089 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ F2 P00734 5/20 0.39
▸ MASP2 O00187 3/20 0.39
▸ SSTR4 P31391 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ GRM3 Q14832 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
SCHEMBL23118028 0.84 GRIK1 (0.49) GRIK1ARG1HRH3F2MASP2
SCHEMBL11242281 0.82 GRIK1 (0.52) GRIK1ARG1HRH3F2MASP2
SCHEMBL11242285 0.82 GRIK1 (0.52) GRIK1ARG1HRH3F2MASP2
SCHEMBL199035 0.80 HRH3 (0.54) GRIK1ARG1HRH3F2MASP2
SCHEMBL22536533 0.80 HRH3 (0.54) GRIK1ARG1HRH3F2MASP2
SCHEMBL3190846 0.80 HRH3 (0.54) GRIK1ARG1HRH3F2MASP2
SCHEMBL19292680 0.80 HRH3 (0.54) GRIK1ARG1HRH3F2MASP2
SCHEMBL1706921 0.80 HRH3 (0.54) GRIK1ARG1HRH3F2MASP2
SCHEMBL199034 0.80 HRH3 (0.54) GRIK1ARG1HRH3F2MASP2
SCHEMBL931868 0.80 HRH3 (0.54) GRIK1ARG1HRH3F2MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334823-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 — — US disclosed
US-20170327448-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-16 — — 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 (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-20170334823-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS GK, ADH1A, ADH5 GRIK1 658/4885ARG1 945/4885HRH3 254/4885
US-20170327448-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS GK, MSMO1, DGKG GRIK1 247/4885ARG1 1580/4885HRH3 255/4885

“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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