SCHEMBL5489435

SCHEMBL5489435

Clc1cccc(-c2cc(C3CCCN3c3nnc(-c4ccc(N5CCOCC5)nc4)n3C3CC3)no2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADK P55263 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 3/20 0.34
AOC3 Q16853 1/20 0.34
MAPT P10636 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CNR1 P21554 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
SCHEMBL5439299 0.91 CNR2 (0.50) CNR2NPC1RAB9AADKSMN1; SMN2
SCHEMBL5397680 0.84 CYP11B2 (0.42) NPC1RAB9ASMN1; SMN2GRM5MAPT
SCHEMBL5397669 0.82 HCRTR1 (0.40) NPC1RAB9ASMN1; SMN2GRM5MAPT
SCHEMBL5442838 0.79 CYP11B2 (0.40) NPC1RAB9ASMN1; SMN2MAPTHDAC8
SCHEMBL3978138 0.77 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL5397690 0.77 MDM2 (0.40) NPC1RAB9ASMN1; SMN2
SCHEMBL3975677 0.76 USP30 (0.39) NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL5440803 0.74 GRM5 (0.41) NPC1RAB9ASMN1; SMN2GRM5MAPT
SCHEMBL2890698 0.74 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL2890710 0.74 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2GRM5

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 CNR2 183/4885NPC1 2424/4885RAB9A 3419/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 CNR2 173/4885NPC1 2449/4885RAB9A 3443/4885

“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.