SCHEMBL4698919

SCHEMBL4698919

COc1ccc2ccccc2c1CCl

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
SLC6A4 P31645 1/20 0.48
CETP P11597 1/20 0.48

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
Methylamine SCHEMBL28245020 0.98 MAPT (0.56) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL19766698 0.85 MAPT (0.62) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL11893003 0.83 KMT2A (0.60) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL15413796 0.82 MAPK1 (0.50) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL28864966 0.82 LMNA (0.47) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL15798428 0.81 MAPT (0.58) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5236602 0.81 MAPT (0.58) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL29620186 0.81 MAPT (0.58) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL29625776 0.81 MAPT (0.58) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL19610235 0.81 MAPT (0.58) MAPTKMT2AMEN1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107235842-B Phenylpropanoate derivative and preparation method and application thereof 西安科技大学 2021-02-26 CN disclosed
EP-3071562-B1 TETRAHYDRO-BENZODIAZEPINONES HOFFMANN LA ROCHE (CH) 2020-10-14 EP disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
CN-106029650-B Tetrahydro-benzodiazepine * ketone 豪夫迈·罗氏有限公司 2019-10-25 CN disclosed
CN-104470940-B The purposes of 2- oxos -2,3,4,5- tetrahydrochysene -1H- benzos [b] [Isosorbide-5-Nitrae] diaza * and its treating cancer 霍夫曼-拉罗奇有限公司 2018-10-16 CN disclosed
US-10053431-B2 Tetrahydro-benzodiazepinones HOFFMANN-LA ROCHE INC. (US) 2018-08-21 US disclosed
CN-104470905-B The miscellaneous azepine * assimilation compounds of substitution 霍夫曼-拉罗奇有限公司 2017-09-12 CN disclosed
CN-104507913-B The antiproliferative ketone of benzo [b] azepine * 2 霍夫曼-拉罗奇有限公司 2017-07-28 CN disclosed
EP-2897972-B1 2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2016-11-30 EP disclosed
CN-106029650-A Tetrahydro-benzodiazepinones 豪夫迈·罗氏有限公司 2016-10-12 CN disclosed
US-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed
US-5604261-A HAVING HYDROXYL/ALKOXYL GROUP ORTHO TO AMIDE GROUP ON PHENYL RING; HIGH MELATONIN RECEPTOR AFFINITY ADIR ET COMPAGNIE (FR) 1997-02-18 US disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
US-5554642-A USE TO TREAT MAMMALS AFFLICTED WITH SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1996-09-10 US disclosed
CN-1127247-A New o-arylmethyl-N-(thio)acylhydroxylamines, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 1996-07-24 CN disclosed
EP-0591057-B1 Arylalkyl(thio)amides with melatonine receptor selectivity and process for their preparation ADIR (FR) 1996-07-10 EP disclosed
US-5464872-A Sleep disorders ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed
CN-1098714-A The 1H-indole-3-acetic acid hydrazide spla 2 inhibitors LILLY CO ELI (US) 1995-02-15 CN disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
EP-0591057-A1 Arylalkyl(thio)amides with melatonine receptor selectivity and process for their preparation ADIR ET COMPAGNIE (FR) 1994-04-06 EP 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-10053431-B2 Tetrahydro-benzodiazepinones GABBR1, TPH1, GABBR2 MAPT 2980/4885KMT2A 1452/4885MEN1 1123/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 MAPT 3356/4885KMT2A 1448/4885MEN1 4789/4885

“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.