Sugi Predict

Sugi Predict / Compounds / SCHEMBL12261925

SCHEMBL12261925

SCHEMBL12261925

N[C@H]1CCCC[C@@H]1c1ccccc1

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
SCHEMBL445956 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-10336737-B2 Metal catalyzed dearomative 1,2-carboamination THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-07-02 — — US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
EP-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 — — EP disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 — — US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 — — US disclosed
US-7338968-B2 Thiadiazoles AS CXC- and CC- chemokine receptor ligands SCHERING CORPORATION (US) 2008-03-04 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 — — EP disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 — — EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — 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 (5 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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 MAOB 2801/4885KDM1A 4739/4885MAOA 3798/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 MAOB 3950/4885KDM1A 4757/4885MAOA 4754/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 MAOB 2764/4885KDM1A 2624/4885MAOA 3119/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 MAOB 2823/4885KDM1A 4719/4885MAOA 3734/4885
US-10336737-B2 Metal catalyzed dearomative 1,2-carboamination DNTT, DIMT1, NMT1 MAOB 690/4885KDM1A 1904/4885MAOA 694/4885

“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.