SCHEMBL5397669

SCHEMBL5397669

Clc1cccc(-c2cc(C3CCCN3c3nnc(-c4ccncc4)n3C3CC3)no2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
BCHE P06276 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
GRM5 P41594 4/20 0.38
SCD O00767 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL5397680 0.91 CYP11B2 (0.42) HCRTR1HCRTR2SMN1; SMN2NPC1RAB9A
SCHEMBL5433709 0.89 KCNH2 (0.42) HCRTR1HCRTR2SMN1; SMN2NPC1RAB9A
SCHEMBL5397690 0.89 MDM2 (0.40) SMN1; SMN2NPC1RAB9ABCHETP53
SCHEMBL5450497 0.87 KCNH2 (0.42) HCRTR1HCRTR2SMN1; SMN2NPC1RAB9A
SCHEMBL5489435 0.82 CNR2 (0.50) SMN1; SMN2NPC1RAB9AGRM5MAPT
SCHEMBL5440803 0.81 GRM5 (0.41) HCRTR1HCRTR2SMN1; SMN2NPC1RAB9A
SCHEMBL5442838 0.80 CYP11B2 (0.40) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL2890698 0.80 SMN1; SMN2 (0.40) HCRTR1HCRTR2SMN1; SMN2NPC1RAB9A
SCHEMBL2890710 0.80 SMN1; SMN2 (0.40) HCRTR1HCRTR2SMN1; SMN2NPC1RAB9A
SCHEMBL2899180 0.80 SMN1; SMN2 (0.41) HCRTR1HCRTR2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523181-A 2007-08-16 JP claimed
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP claimed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US claimed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO 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 HCRTR1 109/4885HCRTR2 140/4885SMN1; SMN2 3066/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 HCRTR1 113/4885HCRTR2 143/4885SMN1; SMN2 3354/4885

“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.