SCHEMBL21187499

SCHEMBL21187499

COc1ccc(-c2c(C)ncnc2-n2cnc3cc(F)cc(F)c32)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 2/20 0.35
▸ CRHR1 P34998 4/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ PDE2A O00408 5/20 0.34
▸ PDE10A Q9Y233 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ PDE7A Q13946 1/20 0.32

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
SCHEMBL21187445 0.93 DRD1 (0.38) DRD1CRHR1PTGS1PTGS2HSD11B1
SCHEMBL21182369 0.89 HSD11B1 (0.39) PTGS1PTGS2HSD11B1PDE2APDE10A
SCHEMBL21187459 0.86 DPP4 (0.39) HSD11B1PDE2APDE10AALDH1A1
SCHEMBL21187446 0.83 HSD11B1 (0.39) DRD1PTGS1PTGS2HSD11B1PDE2A
SCHEMBL20698033 0.82 CRHR1 (0.37) CRHR1PTGS1PTGS2HSD11B1PDE2A
SCHEMBL21187501 0.77 GRM8 (0.35) PTGS1PTGS2ALDH1A1HTTGFER
SCHEMBL21187488 0.77 IDO1 (0.40) DRD1CRHR1HSD11B1PDE2APDE10A
SCHEMBL21187498 0.74 HSD11B1 (0.39) PTGS1PTGS2HSD11B1PDE2APDE10A
SCHEMBL15688522 0.74 DRD1 (0.53) DRD1CRHR1
SCHEMBL21187470 0.72 PTGS1 (0.40) CRHR1PTGS1PTGS2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 DRD1 1273/4885CRHR1 4701/4885PTGS1 2855/4885

“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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