SCHEMBL20085808

SCHEMBL20085808

Clc1c(I)ccn2nc(C3CCCC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ADORA2A P29274 1/20 0.32
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL20085806 0.97 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL20085803 0.94 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL20112884 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL20112984 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL20085810 0.76 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL22342084 0.73 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL20088867 0.72 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL20085804 0.71 KDM4E (0.44) SMN1; SMN2ALDH1A1MAPT
SCHEMBL20085805 0.71 HPGD (0.48) ALDH1A1MAPT
SCHEMBL20085800 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109890823-B Fused azaheterocyclic compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-11-30 CN disclosed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
US-10155769-B2 Fused azaheterocyclic compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-12-18 US disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 US disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 US disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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 (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-10155769-B2 Fused azaheterocyclic compounds and their use as AMPA receptor modulators GRIN3A, GRIN1, GRIN2B NPC1 1690/4885RAB9A 2642/4885SMN1; SMN2 2072/4885
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B NPC1 1690/4885RAB9A 2642/4885SMN1; SMN2 2072/4885

“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.