SCHEMBL3835155

SCHEMBL3835155

O=C1Nc2cc(F)ccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.45
TP53 P04637 2/20 0.43
ABL1 P00519 3/20 0.41
ALOX5 P09917 3/20 0.41
ACE2 Q9BYF1 1/20 0.41
FLT3 P36888 1/20 0.41
LRRK2 Q5S007 2/20 0.41
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL1367799 0.88 MAPT (0.51) MAPTL3MBTL1TDP1POLBKMT2A
SCHEMBL31098212 0.82 CES1 (0.45) MAPTALDH1A1LMNATP53ABL1
SCHEMBL380110 0.81 ALOX5 (0.61) MAPTL3MBTL1TDP1POLBKMT2A
SCHEMBL3409888 0.81 AHR (0.49) MAPTL3MBTL1TDP1POLBKMT2A
SCHEMBL13929961 0.81 MAPT (0.48) MAPTL3MBTL1TDP1POLBKMT2A
SCHEMBL172370 0.81 LMNA (0.58) MAPTL3MBTL1TDP1POLBKMT2A
SCHEMBL9270079 0.81 CSNK1G1 (0.56) MAPTL3MBTL1TDP1POLBKMT2A
SCHEMBL1368116 0.81 ACE2 (0.64) MAPTL3MBTL1TDP1POLBKMT2A
SCHEMBL766354 0.80 ALOX5 (0.65) MAPTL3MBTL1TDP1POLBKMT2A
SCHEMBL31098238 0.80 ACE2 (0.59) ABL1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1593676-B1 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine of atypical anti-psychotic activity and having a low affinity for the dopamine D2 receptor CAMH (CA) 2009-10-07 EP disclosed
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 US disclosed
EP-1406881-B8 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR CAMH (CA) 2006-10-25 EP disclosed
EP-1406881-B1 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR NEUROMOLECULAR INC (CA) 2006-09-13 EP disclosed
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2006-07-27 US disclosed
EP-1593676-A1 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine of atypical anti-psychotic activity and having a low affinity for the dopamine D2 receptor Neuromolecular, Inc. (CA) 2005-11-09 EP disclosed
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2005-10-06 US disclosed
US-6890919-B2 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ (CA) 2005-05-10 US disclosed
EP-1406881-A1 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR Neuromolecular, Inc. (CA) 2004-04-14 EP disclosed
US-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor NEUROMOLECULAR, INC. (CA) 2003-07-17 US disclosed
WO-2003000670-A1 A11-PIPERAZINYLDIBENZO (B, F) (1, 4) OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR NEUROMOLECULAR, INC. (CA) 2003-01-03 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 (4 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-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A MAPT 1444/4885L3MBTL1 4796/4885TDP1 4461/4885
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A MAPT 1444/4885L3MBTL1 4796/4885TDP1 4461/4885
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A MAPT 1444/4885L3MBTL1 4796/4885TDP1 4461/4885
US-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor OPRD1, HTR1A, DRD2 MAPT 1543/4885L3MBTL1 4729/4885TDP1 4180/4885

“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.