SCHEMBL16782971

SCHEMBL16782971

COC(=O)c1cnc(Cl)cc1OC1COC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.43
▸ POLQ O75417 3/20 0.40
▸ KMO O15229 2/20 0.39
▸ SCN9A Q15858 5/20 0.38
▸ OPRK1 P41145 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ PDE4B Q07343 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL16783007 0.86 CNR2 (0.42) CNR2POLQKMOSCN9ALRRK2
SCHEMBL16782997 0.86 KMO (0.47) CNR2POLQKMOSCN9ALRRK2
SCHEMBL16782957 0.83 CNR2 (0.38) CNR2POLQKMOSCN9ALRRK2
SCHEMBL30031533 0.78 GAA (0.53) MAPT
SCHEMBL425641 0.78 GAA (0.53) MAPT
SCHEMBL16804996 0.78 ALDH1A1 (0.38) CNR2POLQKMOSCN9AGRM5
SCHEMBL24774262 0.78 MEN1 (0.41) POLQMAPT
SCHEMBL31208511 0.75 DPP4 (0.41) —
SCHEMBL25232131 0.75 DPP4 (0.41) —
SCHEMBL977733 0.73 KDM4E (0.49) OPRK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 CNR2 56/4885POLQ 3310/4885KMO 740/4885

“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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