SCHEMBL5397690

SCHEMBL5397690

Clc1cccc(-c2cc(C3COCCN3c3nnc(-c4ccncc4)n3C3CC3)no2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 1/20 0.34
THRB P10828 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
SCHEMBL5442838 0.92 CYP11B2 (0.40) MDM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5432191 0.89 KCNH2 (0.41) MDM2NPC1RAB9ASMN1; SMN2BCHE
SCHEMBL5397669 0.89 HCRTR1 (0.40) NPC1RAB9ASMN1; SMN2BCHETP53
SCHEMBL5406644 0.81 NPC1 (0.39) MDM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5397680 0.80 CYP11B2 (0.42) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL5432422 0.80 GRM2 (0.40) MDM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4347443 0.79 NPC1 (0.38) MDM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4347449 0.79 NPC1 (0.38) MDM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5433709 0.78 KCNH2 (0.42) NPC1RAB9ASMN1; SMN2BCHETP53
SCHEMBL5450497 0.78 KCNH2 (0.42) NPC1RAB9ASMN1; SMN2BCHETP53

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 MDM2 4268/4885NPC1 2424/4885RAB9A 3419/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 MDM2 4376/4885NPC1 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.