SCHEMBL513294

SCHEMBL513294

Clc1cccc(-c2noc(C=C3CCNCC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 7/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.43
PLAT P00750 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.42
HTR2C P28335 1/20 0.41

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
SCHEMBL4226736 0.86 NPC1 (0.44) MAOAMAOBNPC1RAB9AL3MBTL1
SCHEMBL512905 0.84 RAB9A (0.51) HTR7MAOBNPC1RAB9AL3MBTL1
SCHEMBL11870167 0.76 NPC1 (0.58) MAOAMAOBNPC1RAB9AL3MBTL1
SCHEMBL8244818 0.74 NR1H4 (0.67) GRM5PLAT
SCHEMBL4226589 0.74 RAB9A (0.44) MAOAMAOBNPC1RAB9AL3MBTL1
SCHEMBL4222139 0.74 NPC1 (0.44) MAOAMAOBNPC1RAB9AGRM5
SCHEMBL513325 0.74 KCNH2 (0.49) GRM5KMT2A
Hydrochloric Acid SCHEMBL5331967 0.73 NR1H4 (0.65) GRM5PLAT
SCHEMBL4223486 0.72 NPC1 (0.42) MAOAMAOBNPC1RAB9AGRM5
SCHEMBL513914 0.72 GRM5 (0.41) NPC1GRM5MEN1GLAKMT2A

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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 HTR7 198/4885MAOA 412/4885MAOB 309/4885

“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.