SCHEMBL13628963

SCHEMBL13628963

O=C1CCCc2nc(CCO)ncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL10271999 0.81 SMN1; SMN2 (0.49) GRM5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL418947 0.71 ALDH1A1 (0.54) GRM5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL7908025 0.71 SMN1; SMN2 (0.56) GRM5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL18652499 0.71 SMN1; SMN2 (0.52) GRM5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL13499979 0.71 MAPT (0.43) GRM5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL29649329 0.71 ALDH1A1 (0.54) GRM5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL3537044 0.70 SMN1; SMN2 (0.42) GRM5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL13628965 0.69 GRM5 (0.39) GRM5TSHRALDH1A1
SCHEMBL1032505 0.69 MAPT (0.56) GRM5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL13482119 0.68 SMN1; SMN2 (0.52) GRM5SMN1; SMN2NPC1RAB9AMAOB

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
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 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 (2 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-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 GRM5 1126/4885SMN1; SMN2 1190/4885NPC1 465/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS GRM5 417/4885SMN1; SMN2 1545/4885NPC1 854/4885

“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.