SCHEMBL178540

SCHEMBL178540

Cc1cccc(C2=NOC3(CCC4(CC3)OCCO4)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HCRTR1 O43613 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
HTT P42858 1/20 0.35
NLRP3 Q96P20 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
SCHEMBL10226129 0.84 CA1 (0.47) SMN1; SMN2HPGDALDH1A1LMNATDP1
SCHEMBL178519 0.84 CHRNB4 (0.37) ALDH1A1LMNATDP1KDM4ECHRNB4
SCHEMBL178518 0.84 ALDH1A1 (0.51) SMN1; SMN2HPGDALDH1A1LMNATDP1
SCHEMBL10227364 0.84 KIF11 (0.38) ALDH1A1TDP1KDM4ECHRNB4CHRNA3
SCHEMBL13927248 0.83 CHRNB4 (0.34) SMN1; SMN2LMNAGAACHRNB4CHRNA3
SCHEMBL178521 0.82 CLK4 (0.38) CHRNB4CHRNA3
SCHEMBL178562 0.81 NOTUM (0.36) CHRNB4CHRNA3NPC1RAB9AHTT
SCHEMBL178535 0.81 ALDH1A1 (0.40) SMN1; SMN2HPGDALDH1A1TDP1GAA
SCHEMBL12904308 0.77 MIF (0.43) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL100619 0.75 GRM5 (0.39) SMN1; SMN2HPGDALDH1A1LMNATDP1

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 SMN1; SMN2 308/4885HPGD 354/4885ALDH1A1 1514/4885

“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.