SCHEMBL16783073

SCHEMBL16783073

COc1cc(OCC2COC2)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 3/20 0.39
▸ PDE4D Q08499 5/20 0.39
▸ GRM4 Q14833 5/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ APLNR P35414 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGER1 P34995 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
SCHEMBL16782955 0.93 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CAPLNR
SCHEMBL16783079 0.91 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CAPLNR
SCHEMBL16783048 0.89 PDE4D (0.42) PDE4DGRM5PDE4APDE4BPDE4C
SCHEMBL16782970 0.86 PDE4D (0.46) PDE4DGRM5PDE4APDE4BPDE4C
SCHEMBL16783082 0.86 PDE4D (0.46) PDE4DGRM4GRM5PDE4APDE4B
SCHEMBL16783023 0.84 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CAPLNR
SCHEMBL16783069 0.84 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL16783044 0.84 NPC1 (0.40) PDE4DGRM5PDE4APDE4BPDE4C
SCHEMBL16783052 0.82 PDE4D (0.42) PDE4DGRM5PDE4APDE4BPDE4C
SCHEMBL16783018 0.81 NPC1 (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1

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
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US claimed
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

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 CACNA1H 3526/4885PDE4D 3462/4885GRM4 3151/4885

“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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