SCHEMBL1030521

SCHEMBL1030521

CC(C)(C)OC(=O)N1CCC(=O)/C(=C/c2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ ESR2 Q92731 1/20 0.44
▸ NR1H2 P55055 2/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ HSD11B1 P28845 2/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ MKNK1 Q9BUB5 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL1030522 1.00 ACHE (0.46) ACHEPAX8ESR2NR1H2GRM5
SCHEMBL12266171 0.93 ACHE (0.44) ACHEPAX8ESR2NR1H2GRM5
SCHEMBL2397980 0.93 ACHE (0.44) ACHEPAX8ESR2NR1H2GRM5
SCHEMBL25625337 0.88 MAPK1 (0.50) ACHEESR2NR1H2GRM5GRM1
SCHEMBL21343948 0.85 GPR119 (0.48) ACHEESR2NR1H2MAPK1
SCHEMBL4635083 0.81 GRM5 (0.46) ESR2NR1H2GRM5GRM1MEN1
SCHEMBL27773011 0.81 ACHE (0.53) ACHEPAX8HSD11B1MEN1KMT2A
SCHEMBL5341385 0.80 ESR2 (0.43) ESR2NR1H2GRM5GRM1MEN1
SCHEMBL21369533 0.80 ESR2 (0.43) ESR2NR1H2GRM5GRM1MEN1
SCHEMBL5341383 0.80 ESR2 (0.43) ESR2NR1H2GRM5GRM1MEN1

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-1804791-B1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-19 — — EP disclosed
EP-1804791-B1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-19 — — EP disclosed
US-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-27 — — 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-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators CNR2, CNR1, GPR18 ACHE 1341/4885PAX8 4253/4885ESR2 1136/4885

“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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