Sugi Predict

Sugi Predict / Compounds / SCHEMBL188941

SCHEMBL188941

SCHEMBL188941

[c]1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.77
▸ SIGMAR1 Q99720 2/20 0.62
▸ DRD2 P14416 2/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ MC4R P32245 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL15474897 0.94 DRD4 (0.68) DRD4SIGMAR1DRD2DRD3HTR2A
SCHEMBL16720463 0.93 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3HTR7
SCHEMBL6031812 0.87 DRD4 (1.00) DRD4SIGMAR1DRD2DRD3HTR7
SCHEMBL27629603 0.85 MAPT (0.67) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL27921067 0.83 DRD4 (0.53) DRD4DRD2DRD3HTR2AHTR7
SCHEMBL5541361 0.83 HTR1A (0.78) SIGMAR1DRD2HTR1A
SCHEMBL27921068 0.83 ALDH1A1 (0.57) DRD4DRD2DRD3HTR7KDM4E
SCHEMBL4233743 0.82 DRD4 (0.70) DRD4SIGMAR1DRD2DRD3HTR7
SCHEMBL1444158 0.81 LMNA (0.52) DRD4SIGMAR1DRD2HTR1AKDM4E
Water SCHEMBL8695926 0.81 SIGMAR1 (0.95) DRD4SIGMAR1MC4RLMNAPOLB

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
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 — — US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 — — US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 — — US claimed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 — — EP claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 — — WO claimed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 — — WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 — — WO disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 — — EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 — — US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 — — US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 — — US disclosed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 — — EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 — — WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
US-4766213-A 1,4-dihydropyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-08-23 — — US disclosed
EP-0237695-A2 1,4-Dihydropyridines MERCK PATENT GmbH (DE) 1987-09-23 — — 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 (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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 DRD4 4092/4885SIGMAR1 895/4885DRD2 3703/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 DRD4 368/4885SIGMAR1 234/4885DRD2 542/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 DRD4 4523/4885SIGMAR1 3827/4885DRD2 4738/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 DRD4 1271/4885SIGMAR1 2277/4885DRD2 835/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 DRD4 3981/4885SIGMAR1 774/4885DRD2 3486/4885

“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.