SCHEMBL16782995

SCHEMBL16782995

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ PTGER1 P34995 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ STIM1 Q13586 2/20 0.38
▸ ORAI1 Q96D31 2/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ IL2 P60568 1/20 0.35
▸ PLA2G10 O15496 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 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
SCHEMBL16783005 0.92 NPC1 (0.42) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16783036 0.90 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16783056 0.89 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16783062 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16783089 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16783049 0.88 NPC1 (0.42) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16804969 0.86 PTGER1 (0.51) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16783031 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16782986 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PTGER1NPY5R
SCHEMBL16782956 0.85 NPY5R (0.44) NPC1RAB9ASMN1; SMN2PTGER1NPY5R

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 6 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
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.

Send feedback