SCHEMBL5479014

SCHEMBL5479014

Cn1c(-c2ccccn2)nnc1N1CCOCC1c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GRM5 P41594 12/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
MDM2 Q00987 3/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL5483157 0.87 MAPT (0.43) MAPTSMN1; SMN2LMNAGRM5MDM2
SCHEMBL5485899 0.87 MAPT (0.43) MAPTSMN1; SMN2LMNAGRM5MDM2
SCHEMBL5438651 0.87 MAPT (0.43) MAPTSMN1; SMN2LMNAGRM5MDM2
SCHEMBL5486686 0.87 GRM5 (0.42) MAPTSMN1; SMN2LMNAGRM5MDM2
SCHEMBL5485273 0.84 GRM5 (0.42) MAPTSMN1; SMN2LMNAGRM5MDM2
SCHEMBL5442569 0.82 GRM5 (0.42) MAPTSMN1; SMN2LMNAGRM5MDM2
SCHEMBL5436283 0.81 HSD11B1 (0.42) MAPTSMN1; SMN2LMNAGRM5MDM2
SCHEMBL5435557 0.77 GRM5 (0.36) SMN1; SMN2LMNAGRM5NPC1TSHR
SCHEMBL4347443 0.76 NPC1 (0.38) SMN1; SMN2GRM5NPC1TP53RAB9A
SCHEMBL4347449 0.76 NPC1 (0.38) SMN1; SMN2GRM5NPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US claimed
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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 (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-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 MAPT 2055/4885SMN1; SMN2 3066/4885LMNA 3303/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 MAPT 1912/4885SMN1; SMN2 3354/4885LMNA 3378/4885

“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.