SCHEMBL16782972

SCHEMBL16782972

Cc1cc(C2CC2)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.41
▸ CRACR2A Q9BSW2 4/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ STIM1 Q13586 4/20 0.40
▸ ORAI1 Q96D31 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ IL2 P60568 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ SIK1 P57059 1/20 0.36
▸ SIK2 Q9H0K1 1/20 0.36
▸ SIK3 Q9Y2K2 1/20 0.36
▸ DHODH Q02127 1/20 0.36

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
SCHEMBL16783097 0.89 STIM1 (0.39) CRACR2AIDO1STIM1ORAI1NPC1
SCHEMBL16782960 0.88 PDE4D (0.44) NPY5RCRACR2ANPC1RAB9ASMN1; SMN2
SCHEMBL16783094 0.88 CRACR2A (0.45) NPY5RCRACR2ASTIM1ORAI1PDE10A
SCHEMBL16805000 0.87 GRM5 (0.45) NPY5RSTIM1ORAI1NPC1RAB9A
SCHEMBL16783033 0.86 NPY5R (0.44) NPY5RSTIM1ORAI1NPC1RAB9A
SCHEMBL16782968 0.86 NPY5R (0.44) NPY5RSTIM1ORAI1NPC1RAB9A
SCHEMBL16783011 0.85 NPY5R (0.41) NPY5RCRACR2ASTIM1ORAI1NPC1
SCHEMBL16782988 0.85 NPC1 (0.41) NPY5RCRACR2ASTIM1ORAI1NPC1
SCHEMBL17376781 0.84 CRACR2A (0.44) NPY5RCRACR2ASTIM1ORAI1NPC1
SCHEMBL16783032 0.83 NPC1 (0.45) NPY5RSTIM1ORAI1NPC1RAB9A

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
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 NPY5R 2049/4885CRACR2A 635/4885IDO1 85/4885

“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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