SCHEMBL6493631

SCHEMBL6493631

CC(C)(CN1[C@H](CCc2ccsc2)COC1(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
OPRM1 P35372 5/20 0.32
OPRD1 P41143 5/20 0.32
OPRK1 P41145 5/20 0.32
NAAA Q02083 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
HSD11B1 P28845 1/20 0.32
CHRM1 P11229 2/20 0.32
CHRM5 P08912 1/20 0.32
P2RX3 P56373 1/20 0.31
DRD2 P14416 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6196321 0.81 GRM2 (0.37) GRM2GRM3CNR1CNR2OPRM1
SCHEMBL6194742 0.81 GRM2 (0.37) GRM2GRM3CNR1CNR2OPRM1
SCHEMBL6494472 0.77 SPHK1 (0.39) GRM2GRM3CNR1CNR2NAAA
SCHEMBL6196335 0.76 CTSS (0.34) GRM2GRM3CNR1CNR2OPRM1
SCHEMBL27788552 0.65 OPRM1 (0.42) GRM2GRM3OPRM1OPRD1OPRK1
SCHEMBL14338696 0.65 SPHK1 (0.42) SIGMAR1
SCHEMBL6924329 0.65 SPHK1 (0.42) SIGMAR1
SCHEMBL6505406 0.63
SCHEMBL17103824 0.61 PPARA (0.34)
SCHEMBL1760152 0.61 BRD4 (0.41)

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-6872740-B2 Use of 2-amino-4-heteroarylethyl-thiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
US-20030225140-A1 4-(heteroarylethyl)-4,5-dihydro-1,3-thiazol-2-ylamine or salt, useful for treating an illness, which involves an abnormal production of nitric oxide (NO) by induction of an inducible NO-synthase AVENTIS PHARMA S.A. (FR) 2003-12-04 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 (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-20030225140-A1 4-(heteroarylethyl)-4,5-dihydro-1,3-thiazol-2-ylamine or salt, useful for treating an illness, which involves an abnormal production of nitric oxide (NO) by induction of an inducible NO-synthase PTGS1, PTGIS, NOS1 GRM2 990/4885GRM3 1548/4885CNR1 565/4885

“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.