SCHEMBL4629946

SCHEMBL4629946

C=CC[C@@H](N)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.47
SCN4A P35499 2/20 0.45
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HTR2A P28223 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL7406881 1.00 CYP2C19 (0.57) CYP2C19SMN1; SMN2SCN4ADPP4F2
SCHEMBL898390 1.00 CYP2C19 (0.57) CYP2C19SMN1; SMN2SCN4ADPP4F2
Hydrochloric Acid SCHEMBL25188226 0.98 CYP2C19 (0.55) CYP2C19SMN1; SMN2SCN4ADPP4F2
Hydrochloric Acid SCHEMBL31471464 0.98 CYP2C19 (0.55) CYP2C19SMN1; SMN2SCN4ADPP4F2
Hydrochloric Acid SCHEMBL250191 0.98 CYP2C19 (0.55) CYP2C19SMN1; SMN2SCN4ADPP4F2
SCHEMBL28590509 0.83 CYP2C19 (0.46) CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL22705600 0.82 SCN4A (0.45) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL31316848 0.80 DPP4 (0.42) CYP2C19DPP4ALDH1A1ALOX15HTR2A
SCHEMBL5445894 0.78 DPP4 (0.43) CYP2C19SMN1; SMN2DPP4ALDH1A1MAPT
SCHEMBL21009888 0.78 ATM (0.46) CYP2C19SCN4AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118185450-A Modified polyurethane primer and preparation method thereof 广东普赛达密封粘胶有限公司 2024-06-14 CN claimed
CN-116606592-B UV (ultraviolet) light-cured waterborne polyurethane primer for vehicles and preparation method thereof 广东普赛达密封粘胶有限公司 2024-04-02 CN claimed
CN-116606592-A UV (ultraviolet) light-cured waterborne polyurethane primer for vehicles and preparation method thereof 广东普赛达密封粘胶有限公司 2023-08-18 CN claimed
CN-114395378-B Synthesis of high-temperature-resistant modified nano-alumina plugging agent and oil-based drilling fluid 西南石油大学 2023-01-31 CN claimed
CN-114395378-A Synthesis of high-temperature-resistant modified nano-alumina plugging agent and oil-based drilling fluid 西南石油大学 2022-04-26 CN claimed
CN-118185450-A Modified polyurethane primer and preparation method thereof 广东普赛达密封粘胶有限公司 2024-06-14 CN disclosed
CN-116606592-B UV (ultraviolet) light-cured waterborne polyurethane primer for vehicles and preparation method thereof 广东普赛达密封粘胶有限公司 2024-04-02 CN disclosed
CN-116606592-A UV (ultraviolet) light-cured waterborne polyurethane primer for vehicles and preparation method thereof 广东普赛达密封粘胶有限公司 2023-08-18 CN disclosed
CN-114395378-B Synthesis of high-temperature-resistant modified nano-alumina plugging agent and oil-based drilling fluid 西南石油大学 2023-01-31 CN disclosed
CN-114395378-A Synthesis of high-temperature-resistant modified nano-alumina plugging agent and oil-based drilling fluid 西南石油大学 2022-04-26 CN disclosed
US-20170226105-A1 TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-10 US disclosed
US-20170226105-A1 TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-10 US disclosed
WO-2005063682-A1 IMPROVED METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 WO disclosed
EP-0770077-B1 PROCESS FOR THE PREPARATION OF 2-(1-AZABICYCLO(2.2.2)OCT-3-YL) -2,4,5,6-TETRAHYDRO-1H-BENZ(DE)ISOQUINOLIN-1-ONE AND INTERMEDIATE PRODUCT HOFFMANN LA ROCHE (CH) 2001-09-19 EP disclosed
EP-0770077-A1 PROCESS FOR THE PREPARATION OF 2-(1-AZABICYCLO(2.2.2)OCT-3-YL) -2,4,5,6-TETRAHYDRO-1H-BENZ(DE)ISOQUINOLIN-1-ONE AND INTERMEDIATE PRODUCT F. HOFFMANN-LA ROCHE AG (CH) 1997-05-02 EP disclosed
US-5576434-A (1-azabicyclo[2.2.2]oct-3-yl) (1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amine and n-(1-azabicyclo[2.2.2]oc HELSINN HEALTHCARE SA (CH) 1996-11-19 US disclosed
US-5567818-A Processes for preparing 2-(1-azabicyclo[2.2.2]oct-3-yl)-1H-benz[de] isoquinolin-1-one derivatives and intermediates useful therein SYNTEX (U.S.A.) INC. (US) 1996-10-22 US disclosed
US-5510486-A Process for preparing 2-(1-azabicyclo 2.2.2!oct-3-yl)-2,3,3A,4,5,6-hexahydro-1H-benz de!isoquinolin-1-one SYNTEX (U.S.A.) INC. (US) 1996-04-23 US disclosed
US-5492914-A ADMINISTERING TO TREAT A CONDITION CHOSEN FROM EMESIS, PSYCHOSIS, ANXIETY/DEPRESSIVE STATE, HYPERTENSION, ARRHYTHMIA AND PAIN SYNTEX (U.S.A.) INC. (US) 1996-02-20 US disclosed
WO-1996001824-A1 PROCESS FOR THE PREPARATION OF 2-(1-AZABICYCLO(2.2.2)OCT-3-YL) -2,4,5,6-TETRAHYDRO-1H-BENZ(DE)ISOQUINOLIN-1-ONE AND INTERMEDIATE PRODUCT F. HOFFMANN-LA ROCHE AG (CH) 1996-01-25 WO 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-20170226105-A1 TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS MYLK, ROCK1, MYLK2 CYP2C19 3978/4885SMN1; SMN2 558/4885SCN4A 2752/4885

“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.