SCHEMBL445956

SCHEMBL445956

NC1CCCCC1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.60
KDM1A O60341 9/20 0.60
MAOA P21397 7/20 0.60
CYP2C19 P33261 4/20 0.60
CYP2B6 P20813 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
LMNA P02545 2/20 0.60
TAAR1 Q96RJ0 2/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
CYP2A6 P11509 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR2C P28335 1/20 0.60
ADRA1A P35348 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL3318635 1.00 MAOB (0.60) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL4041525 1.00 MAOB (0.60) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL12261925 1.00 MAOB (0.60) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL13479566 1.00 MAOB (0.60) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL15165363 1.00 MAOB (0.60) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL10494836 1.00 MAOB (0.60) MAOBKDM1AMAOACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL7315925 0.98 MAOB (0.61) MAOBKDM1AMAOACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL7315927 0.98 MAOB (0.61) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL29265379 0.98 MAOB (0.58) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL29087266 0.98 MAOB (0.58) MAOBKDM1AMAOACYP2C19CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4016656-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2022-06-22 EP disclosed
CN-108026088-B Oxadiazole derivatives as HDAC inhibitors 武田药品工业株式会社 2021-02-12 CN disclosed
CN-108026088-A Oxadiazole derivatives as HDAC inhibitors 武田药品工业株式会社 2018-05-11 CN disclosed
EP-2431353-B1 Process for preparing amine compound KANTO KAGAKU (JP) 2016-01-20 EP disclosed
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
EP-2431353-A1 Process for preparing amine compound Kanto Kagaku Kabushiki Kaisha (JP) 2012-03-21 EP disclosed
US-20120065426-A1 PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-03-15 US disclosed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
WO-2001019939-A1 FLUORESCENT MALEIMIDES AND USES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
CN-1214681-A New phenanthridines BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-21 CN disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 WO disclosed
US-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 WO disclosed
EP-0507291-A1 Cyclohexylurea compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-07 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 (1 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-20120065426-A1 PROCESS FOR PREPARING AMINE COMPOUND PNMT, HNMT, GNMT MAOB 20/4885KDM1A 315/4885MAOA 17/4885

“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.