SCHEMBL172370

SCHEMBL172370

O=C1Nc2cc(Cl)ccc2Oc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CHEK1 O14757 1/20 0.56
MAPT P10636 4/20 0.55
TP53 P04637 2/20 0.55
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
CES1 P23141 2/20 0.47
MAPK1 P28482 1/20 0.47
TGM2 P21980 1/20 0.44
PPOX P50336 1/20 0.43
LRRK2 Q5S007 2/20 0.41
ALOX5 P09917 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

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
SCHEMBL1366565 0.88 LMNA (0.58) LMNACHEK1MAPTTP53POLB
SCHEMBL9967368 0.88 LMNA (0.61) LMNACHEK1MAPTTP53POLB
SCHEMBL29753145 0.88 LMNA (0.61) LMNACHEK1MAPTTP53POLB
SCHEMBL7878578 0.84 LMNA (0.73) LMNACHEK1MAPTTP53POLB
SCHEMBL380110 0.81 ALOX5 (0.61) LMNAMAPTTP53POLBL3MBTL1
SCHEMBL3409888 0.81 AHR (0.49) LMNAMAPTTP53POLBL3MBTL1
SCHEMBL13929961 0.81 MAPT (0.48) LMNAMAPTTP53POLBL3MBTL1
SCHEMBL9270079 0.81 CSNK1G1 (0.56) LMNAMAPTTP53POLBL3MBTL1
SCHEMBL3835155 0.81 MAPT (0.48) LMNAMAPTTP53POLBL3MBTL1
SCHEMBL6045366 0.80 ALOX5 (0.65) LMNACHEK1MAPTTP53MAPK1

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3997401-A Microbial transformation of 8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepine G. D. SEARLE & CO. (US) 1976-12-14 US claimed
US-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
EP-2137180-B1 DIBENZO [B,F][1,4] OXAZAPINE COMPOUNDS ARYX THERAPEUTICS INC (US) 2012-03-07 EP disclosed
US-8093237-B2 11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazapine compounds; psychological disorders, sleep disorders; antipsychotic agents that modulate monoaminergic neurotransmitter receptor subtypes; side effect reduction ARYX THERAPEUTICS, INC. (US) 2012-01-10 US disclosed
US-8093237-B2 11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazapine compounds; psychological disorders, sleep disorders; antipsychotic agents that modulate monoaminergic neurotransmitter receptor subtypes; side effect reduction ARYX THERAPEUTICS, INC. (US) 2012-01-10 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 EP disclosed
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-5602121-A ANTISCHIZOPHRENIA AGENTS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1997-02-11 US disclosed
US-5602120-A ADMINISTERING FOR TREATING A CONDITION MEDIATED BY THE D4 RECEPTOR: SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1997-02-11 US disclosed
US-5576314-A Bicyclic nonane and decane compounds having dopamine receptor affinity ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-11-19 US disclosed
US-5561127-A TREATING ANXIETY, SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1996-10-01 US disclosed
WO-1996019479-A1 MUSCARINIC RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-27 WO disclosed
WO-1996018630-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-06-20 WO disclosed
WO-1996018623-A1 BENZYL-SUBSTITUTED COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-20 WO disclosed
WO-1996018621-A1 ALKYL-SUBSTITUTED COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-20 WO disclosed
US-4086268-A 2-(2-Amino-4-chlorophenoxy)benzyl alcohol and diacetate derivative G. D. SEARLE & CO. (US) 1978-04-25 US disclosed
US-3997401-A Microbial transformation of 8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepine G. D. SEARLE & CO. (US) 1976-12-14 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 (3 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-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 LMNA 4248/4885CHEK1 889/4885MAPT 2224/4885
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME GPR119, CYP11B1, HSD11B1 LMNA 2184/4885CHEK1 4701/4885MAPT 4246/4885
US-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 LMNA 3338/4885CHEK1 2737/4885MAPT 162/4885

“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.