SCHEMBL178509

SCHEMBL178509

Clc1cncc(C2=NOC3(CCC4(CC3)OCCO4)C2)c1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.31
BACE1 P56817 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL10226605 0.81 PGR (0.33) BACE1NPC1MAPT
SCHEMBL100646 0.75 GRM5 (0.35)
SCHEMBL13927248 0.72 CHRNB4 (0.34) APPNPC1LMNAGAAMAPT
SCHEMBL178540 0.71 SMN1; SMN2 (0.41) NPC1LMNAGAAMAPTHTT
SCHEMBL178521 0.69 CLK4 (0.38) BACE1
SCHEMBL12904308 0.69 MIF (0.43) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL10227364 0.68 KIF11 (0.38) NPC1MAPTHTTRAB9ACA1
SCHEMBL178519 0.68 CHRNB4 (0.37) NPC1LMNAHTTRAB9ACA1
SCHEMBL178562 0.68 NOTUM (0.36) BACE1NPC1HTTRAB9A
SCHEMBL178518 0.68 ALDH1A1 (0.51) BACE1NPC1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 APP 3618/4885BACE1 3437/4885NPC1 1734/4885

“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.