SCHEMBL5688640

SCHEMBL5688640

Cc1ccnc(Cc2ccc(OC(=O)N3CCC(COn4cccn4)CC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.42
P2RX3 P56373 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MGLL Q99685 1/20 0.36
GAA P10253 1/20 0.36
LIPE Q05469 1/20 0.36
HDAC1 Q13547 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
SCHEMBL5688040 0.92 GRIN2B (0.42) GRIN2BNOS3NOS1NOS2TLR9
SCHEMBL5687951 0.88 GRIN2B (0.44) GRIN2BP2RX3TLR9TLR8TLR7
SCHEMBL5687809 0.88 NOS3 (0.39) GRIN2BP2RX3NOS3NOS1NOS2
SCHEMBL5690384 0.87 NPC1 (0.41) GRIN2BNPC1RAB9AMGLLGAA
SCHEMBL5691308 0.85 GRIN2B (0.40) GRIN2BP2RX3NOS3NOS1NOS2
SCHEMBL5688054 0.85 GRIN2B (0.39) GRIN2BP2RX3NPC1RAB9AMGLL
SCHEMBL5687770 0.83 GRIN2B (0.43) GRIN2BNPC1RAB9AGAALIPE
SCHEMBL5687988 0.82 GRIN2B (0.43) GRIN2BP2RX3NOS3NOS1NOS2
SCHEMBL5687640 0.82 GRIN2B (0.43) GRIN2BP2RX3NOS3NOS1NOS2
SCHEMBL5688252 0.82 GRIN2B (0.44) GRIN2BTLR9TLR8TLR7NPC1

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-20060160851-A1 Substituted piperidine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US claimed
EP-1636207-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP claimed
WO-2004111032-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO claimed
US-20060160851-A1 Substituted piperidine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US disclosed
EP-1636207-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP disclosed
WO-2004111032-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO 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-20060160851-A1 Substituted piperidine carbamates LIPE, PNLIP, LIPC GRIN2B 2588/4885P2RX3 1327/4885NOS3 444/4885

“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.