SCHEMBL16783044

SCHEMBL16783044

CCOc1cc(OC2COC2)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ DHODH Q02127 4/20 0.37
▸ PDE4D Q08499 3/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ GCK P35557 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ AR P10275 1/20 0.34

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
SCHEMBL16783048 0.89 PDE4D (0.42) NPC1RAB9ASMN1; SMN2DHODHPDE4D
SCHEMBL16782993 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2DHODHPDE4D
SCHEMBL16782970 0.86 PDE4D (0.46) NPC1RAB9ASMN1; SMN2PDE4DPDE4A
SCHEMBL16783087 0.86 RAB9A (0.42) NPC1RAB9ASMN1; SMN2DHODHPDE4D
SCHEMBL16783021 0.85 GRM5 (0.39) NPC1RAB9ASMN1; SMN2DHODHPDE4D
SCHEMBL16783073 0.84 CACNA1H (0.39) NPC1RAB9ASMN1; SMN2PDE4DPDE4A
SCHEMBL16783102 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2DHODHPDE4D
SCHEMBL16783018 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2DHODHPDE4D
SCHEMBL16783036 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PDE4DPDE4A
SCHEMBL16805006 0.83 PTGER1 (0.51) NPC1RAB9ASMN1; SMN2GCKKDM4E

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 7 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 claimed
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
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 NPC1 599/4885RAB9A 3615/4885SMN1; SMN2 2629/4885

“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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