SCHEMBL5592055

SCHEMBL5592055

CC1(N(Cc2ccccc2)C(=O)O)CCNC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
OPRM1 P35372 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP2D6 P10635 3/20 0.38
CTSD P07339 1/20 0.38
LMNA P02545 1/20 0.37
HTR2A P28223 1/20 0.37
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 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
SCHEMBL19470000 0.91 OPRM1 (0.44) NPSR1OPRM1NPC1RAB9ACA12
SCHEMBL3887512 0.85 AKT1 (0.39) NPSR1OPRM1SLC6A4
SCHEMBL5592301 0.78 CTSD (0.37) NPSR1OPRM1NPC1RAB9ACA12
SCHEMBL4201868 0.78 MEN1 (0.50) NPSR1OPRM1SLC6A2SLC6A4CTSD
SCHEMBL30463552 0.77 OPRM1 (0.41) NPSR1OPRM1NPC1RAB9ACYP2D6
SCHEMBL1785929 0.75 NPSR1 (0.45) NPSR1NPC1RAB9ACA12CA9
SCHEMBL16728416 0.74 NPSR1 (0.44) NPSR1NPC1RAB9ACA12CA9
SCHEMBL16728415 0.74 NPSR1 (0.44) NPSR1NPC1RAB9ACA12CA9
SCHEMBL16728439 0.74 NPSR1 (0.44) NPSR1NPC1RAB9ACA12CA9
Hydrochloric Acid SCHEMBL28285338 0.73 OPRM1 (0.40) NPSR1OPRM1NPC1RAB9ACA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-20240166645-A1 PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-05-23 US disclosed
EP-4289843-A1 PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-12-13 EP disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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-20240166645-A1 PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SOS1, WEE1, SOS2 NPSR1 669/4885OPRM1 1790/4885NPC1 2155/4885

“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.